⚠ 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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL23829777 | 0.81 | — | — | |
| Propionic Acid SCHEMBL7569705 | 0.78 | — | — | |
| Succinic Acid SCHEMBL23829730 | 0.78 | — | — | |
| Dodecanoate SCHEMBL29648457 | 0.77 | GPR84 (0.56) | — | |
| Decanoic Acid SCHEMBL30272208 | 0.77 | GPR84 (0.56) | — | |
| Myristic Acid SCHEMBL27524643 | 0.77 | GPR84 (0.56) | — | |
| Octanoic Acid SCHEMBL30899227 | 0.77 | GPR84 (0.56) | — | |
| Propionic Acid SCHEMBL1332272 | 0.74 | — | — | |
| Butyric Acid SCHEMBL10887503 | 0.73 | — | — | |
| SCHEMBL863121 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023065606-A1 | NEW DEUTERATED CYANO COMPOUND, AND PREPARATION METHOD THEREFOR AND COMPOSITION AND USE THEREOF | 广州谷森制药有限公司 | 2023-04-27 | — | — | WO | disclosed |
| US-20090298123-A1 | Novel Lipase Genes | CODEXIS, INC. (US) | 2009-12-03 | — | — | US | disclosed |
| US-7407786-B2 | Lipase genes | CODEXIS, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20050214919-A1 | Novel lipase genes | CODEXIS, INC. | 2005-09-29 | — | — | US | disclosed |
| US-6858422-B2 | Lipase genes | CODEXIS, INC. (US) | 2005-02-22 | — | — | US | disclosed |
| US-20030096390-A1 | Novel lipase genes | CODEXIS, INC. | 2003-05-22 | — | — | US | disclosed |
| EP-1307548-A2 | NOVEL LIPASE GENES | Maxygen, Inc. (US) | 2003-05-07 | — | — | EP | disclosed |
| US-20020127609-A1 | Screening for enzyme stereoselectivity utilizing mass spectrometry | MAXYGEN, INC. | 2002-09-12 | — | — | US | disclosed |
| WO-2002068931-A2 | SCREENING FOR ENZYME STEREOSELECTIVITY UTILIZING MASS SPECTROMETRY | MAXYGEN, INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| WO-2002006457-A2 | NOVEL LIPASE GENES | MAXYGEN, INC. (US) | 2002-01-24 | — | — | WO | disclosed |