⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13955180 | 0.93 | — | — | |
| SCHEMBL13626850 | 0.82 | DRD1 (0.35) | — | |
| SCHEMBL13626875 | 0.72 | — | — | |
| SCHEMBL14141464 | 0.68 | — | — | |
| SCHEMBL13626860 | 0.64 | DRD1 (0.36) | — | |
| SCHEMBL16512411 | 0.62 | DRD1 (0.47) | — | |
| SCHEMBL7566867 | 0.60 | CYP1A2 (0.34) | — | |
| SCHEMBL708320 | 0.59 | DRD1 (0.61) | — | |
| SCHEMBL13626881 | 0.59 | DRD1 (0.35) | — | |
| SCHEMBL13626871 | 0.58 | CYP11B1 (0.37) | — |
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 9 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-7615645-B2 | Method for the continuous production of aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 2009-11-10 | — | — | US | disclosed |
| EP-1678113-B1 | METHOD FOR THE CONTINUOUS PRODUCTION OF ALDEHYDES | BASF SE (DE) | 2008-07-16 | — | — | EP | 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 |
| US-20070004939-A1 | Method for the continuous production of aldehydes | VOLLAND MARTIN | 2007-01-04 | — | — | US | disclosed |
| US-20070004939-A1 | Method for the continuous production of aldehydes | VOLLAND MARTIN | 2007-01-04 | — | — | US | disclosed |