⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12838599 | 1.00 | — | — | |
| SCHEMBL2844312 | 1.00 | — | — | |
| SCHEMBL5460635 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5470511 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5474472 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5466935 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5466268 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL5480495 | 0.97 | GPR84 (0.52) | — | |
| SCHEMBL3353937 | 0.83 | — | — | |
| SCHEMBL902569 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040053382-A1 | Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system | EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) | 2004-03-18 | — | — | US | claimed |
| EP-1326993-A2 | PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM | PCBU Services, Inc. (US) | 2003-07-16 | — | — | EP | claimed |
| WO-2002033110-A2 | PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM | PCBU SERVICES, INC. (US) | 2002-04-25 | — | — | WO | claimed |