⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13324227 | 0.70 | — | — | |
| SCHEMBL15236313 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL11725139 | 0.64 | HTR1B (0.41) | — | |
| SCHEMBL24858835 | 0.63 | CYP2A6 (0.35) | — | |
| SCHEMBL15236214 | 0.62 | — | — | |
| SCHEMBL16977025 | 0.61 | APP (0.31) | — | |
| SCHEMBL20653611 | 0.60 | — | — | |
| SCHEMBL20653673 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL12461478 | 0.59 | TDP2 (0.31) | — | |
| SCHEMBL15436347 | 0.57 | — | — |
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 4 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-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 |