⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14612230 | 1.00 | — | — | |
| SCHEMBL14520743 | 0.92 | GABBR2 (0.33) | — | |
| SCHEMBL14612377 | 0.72 | MAOB (0.30) | — | |
| SCHEMBL13626882 | 0.72 | — | — | |
| SCHEMBL13199337 | 0.71 | MAPK1 (0.34) | — | |
| SCHEMBL13626909 | 0.70 | — | — | |
| SCHEMBL13626872 | 0.69 | — | — | |
| SCHEMBL13626881 | 0.68 | DRD1 (0.35) | — | |
| SCHEMBL10103797 | 0.68 | — | — | |
| SCHEMBL13637389 | 0.67 | — | — |
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-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-20070004939-A1 | Method for the continuous production of aldehydes | VOLLAND MARTIN | 2007-01-04 | — | — | US | disclosed |