⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14598368 | 0.94 | — | — | |
| SCHEMBL13637418 | 0.93 | — | — | |
| SCHEMBL14142745 | 0.79 | — | — | |
| SCHEMBL13626897 | 0.76 | — | — | |
| SCHEMBL13626902 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL11797199 | 0.55 | KDM4E (0.39) | — | |
| SCHEMBL17050249 | 0.55 | APEX1 (0.51) | — | |
| SCHEMBL3999624 | 0.55 | ALDH1A1 (0.47) | — | |
| SCHEMBL13955319 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL17522143 | 0.53 | TSHR (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7615645-B2 | Method for the continuous production of aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 2009-11-10 | — | — | US | disclosed |
| US-20070083066-A1 | Method for the production of 1,7-octadiene and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-12 | — | — | US | disclosed |
| US-20070083066-A1 | Method for the production of 1,7-octadiene and use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-12 | — | — | US | disclosed |
| US-7173138-B2 | Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation | BASF AKTIENGESELLSCHAFT (DE) | 2007-02-06 | — | — | US | disclosed |
| US-7173138-B2 | Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation | BASF AKTIENGESELLSCHAFT (DE) | 2007-02-06 | — | — | US | disclosed |