EP1127312A4 - Generation of virtual combinatorial libraries of compounds - Google Patents

Generation of virtual combinatorial libraries of compounds

Info

Publication number
EP1127312A4
EP1127312A4 EP99921921A EP99921921A EP1127312A4 EP 1127312 A4 EP1127312 A4 EP 1127312A4 EP 99921921 A EP99921921 A EP 99921921A EP 99921921 A EP99921921 A EP 99921921A EP 1127312 A4 EP1127312 A4 EP 1127312A4
Authority
EP
European Patent Office
Prior art keywords
compounds
generation
combinatorial libraries
virtual combinatorial
virtual
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Withdrawn
Application number
EP99921921A
Other languages
German (de)
French (fr)
Other versions
EP1127312A1 (en
Inventor
Richard Griffey
Eric Swayze
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Ionis Pharmaceuticals Inc
Original Assignee
Isis Pharmaceuticals Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Priority claimed from US09/076,405 external-priority patent/US6253168B1/en
Application filed by Isis Pharmaceuticals Inc filed Critical Isis Pharmaceuticals Inc
Publication of EP1127312A1 publication Critical patent/EP1127312A1/en
Publication of EP1127312A4 publication Critical patent/EP1127312A4/en
Withdrawn legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • G16B35/10—Design of libraries
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/62—Design of libraries

Landscapes

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Library & Information Science (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Medicinal Chemistry (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Biophysics (AREA)
  • Medical Informatics (AREA)
  • Biotechnology (AREA)
  • Computing Systems (AREA)
  • Molecular Biology (AREA)
  • Biochemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
EP99921921A 1998-05-12 1999-05-12 Generation of virtual combinatorial libraries of compounds Withdrawn EP1127312A4 (en)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US8509298P 1998-05-12 1998-05-12
US09/076,405 US6253168B1 (en) 1998-05-12 1998-05-12 Generation of virtual combinatorial libraries of compounds
US85092P 1998-05-12
US76405 1998-05-12
PCT/US1999/010493 WO1999059061A1 (en) 1998-05-12 1999-05-12 Generation of virtual combinatorial libraries of compounds

Publications (2)

Publication Number Publication Date
EP1127312A1 EP1127312A1 (en) 2001-08-29
EP1127312A4 true EP1127312A4 (en) 2004-09-08

Family

ID=26758067

Family Applications (1)

Application Number Title Priority Date Filing Date
EP99921921A Withdrawn EP1127312A4 (en) 1998-05-12 1999-05-12 Generation of virtual combinatorial libraries of compounds

Country Status (4)

Country Link
EP (1) EP1127312A4 (en)
JP (1) JP2002514811A (en)
AU (1) AU3900999A (en)
WO (1) WO1999059061A1 (en)

Families Citing this family (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2002025504A2 (en) * 2000-09-20 2002-03-28 Lobanov Victor S Method, system, and computer program product for encoding and building products of a virtual combinatorial library
GB2375536A (en) * 2000-12-01 2002-11-20 Univ Sheffield Combinatorial molecule design system and method
JP7090150B2 (en) * 2017-09-05 2022-06-23 エスアールアイ インターナショナル Synthetic compounds, libraries and methods that can be distinguished by mass spectrometry
CN112689877A (en) 2018-09-14 2021-04-20 富士胶片株式会社 Method for evaluating suitability for synthesis of compound, program for evaluating suitability for synthesis of compound, and apparatus for evaluating suitability for synthesis of compound
EP3852112A4 (en) * 2018-09-14 2021-10-20 FUJIFILM Corporation Compound structure generating method, compound structure generating program, and compound structure generating device

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1997027559A1 (en) * 1996-01-26 1997-07-31 Patterson David E Method of creating and searching a molecular virtual library using validated molecular structure descriptors
EP0818744A2 (en) * 1996-07-08 1998-01-14 Proteus Molecular Design Limited Process for selecting candidate drug compounds

Family Cites Families (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5573905A (en) * 1992-03-30 1996-11-12 The Scripps Research Institute Encoded combinatorial chemical libraries
US5565324A (en) * 1992-10-01 1996-10-15 The Trustees Of Columbia University In The City Of New York Complex combinatorial chemical libraries encoded with tags
US5880972A (en) * 1996-02-26 1999-03-09 Pharmacopeia, Inc. Method and apparatus for generating and representing combinatorial chemistry libraries

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1997027559A1 (en) * 1996-01-26 1997-07-31 Patterson David E Method of creating and searching a molecular virtual library using validated molecular structure descriptors
EP0818744A2 (en) * 1996-07-08 1998-01-14 Proteus Molecular Design Limited Process for selecting candidate drug compounds

Non-Patent Citations (1)

* Cited by examiner, † Cited by third party
Title
See also references of WO9959061A1 *

Also Published As

Publication number Publication date
JP2002514811A (en) 2002-05-21
AU3900999A (en) 1999-11-29
EP1127312A1 (en) 2001-08-29
WO1999059061A1 (en) 1999-11-18

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Legal Events

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