⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23732399 | 0.80 | — | — | |
| SCHEMBL6358498 | 0.80 | CTSK (0.36) | — | |
| SCHEMBL28952300 | 0.80 | — | — | |
| SCHEMBL10988177 | 0.79 | MGAM (0.41) | — | |
| SCHEMBL28321992 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL6384157 | 0.79 | — | — | |
| SCHEMBL8377632 | 0.77 | — | — | |
| SCHEMBL968522 | 0.77 | — | — | |
| SCHEMBL11582766 | 0.77 | ALOX15 (0.53) | — | |
| SCHEMBL21813953 | 0.77 | CTSK (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100143989-A1 | Production Of 3-Hydroxycarboxylic Acid Using Nitrilase Mutants | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-06-10 | — | — | US | disclosed |
| EP-1778840-B1 | PRODUCTION OF 3-HYDROXYCARBOXYLIC ACID USING NITRILASE MUTANTS | DU PONT (US) | 2008-06-11 | — | — | EP | disclosed |
| US-7358071-B2 | Production of 3-hydroxycarboxylic acid using nitrilase mutants | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-04-15 | — | — | US | disclosed |
| US-20070117192-A1 | Production of 3-hydroxycarboxylic acid using nitrilase mutants | PURETECH SCIENTIFIC LLC | 2007-05-24 | — | — | US | disclosed |
| EP-1778840-A2 | PRODUCTION OF 3-HYDROXYCARBOXYLIC ACID USING NITRILASE MUTANTS | E.I.Du pont de nemours and company (US) | 2007-05-02 | — | — | EP | disclosed |
| US-20070004017-A1 | 3-hydroxycarboxylic acid production and use in branched polymers | BRAMUCCI MICHAEL G | 2007-01-04 | — | — | US | disclosed |
| US-7148051-B2 | Production of 3-hydroxycarboxylic acid using nitrilase | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-12-12 | — | — | US | disclosed |
| US-7138480-B2 | 3-Hydroxycarboxylic acid production and use in branched polymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-11-21 | — | — | US | disclosed |
| US-7091011-B2 | 3-hydroxycarboxylic acid production and use in branched polymers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-08-15 | — | — | US | disclosed |
| WO-2006023520-A2 | PRODUCTION OF 3-HYDROXYCARBOXYLIC ACID USING NITRILASE MUTANTS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060035352-A1 | Production of 3-hydroxycarboxylic acid using nitrilase | PURETECH SCIENTIFIC LLC | 2006-02-16 | — | — | US | disclosed |
| US-20030170837-A1 | 3-hydroxycarboxylic acid production and use in branched polymers | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2003-09-11 | — | — | US | disclosed |
| US-20030166180-A1 | 3-Hydroxycarboxylic acid production and use in branched polymers | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2003-09-04 | — | — | US | disclosed |
| EP-1309715-A2 | 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS | E.I. Dupont de Nemours and Company (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6562603-B2 | Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-05-13 | — | — | US | disclosed |
| US-20020039770-A1 | 3-Hydroxycarboxylic acid production and use in branched polymers | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2002-04-04 | — | — | US | disclosed |
| WO-2002012530-A2 | 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |