⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8027326 | 1.00 | — | — | |
| SCHEMBL7524833 | 0.90 | NOTUM (0.30) | — | |
| SCHEMBL7524829 | 0.90 | NOTUM (0.30) | — | |
| SCHEMBL8023833 | 0.87 | NOTUM (0.33) | — | |
| SCHEMBL8023832 | 0.87 | NOTUM (0.33) | — | |
| SCHEMBL7921773 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL7921775 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL7530298 | 0.85 | NOTUM (0.33) | — | |
| SCHEMBL7530294 | 0.85 | NOTUM (0.33) | — | |
| SCHEMBL7930440 | 0.84 | NOTUM (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013606-A | HERBICIDES | BASF AKTEINGESELLSCHAFT (DE) | 2000-01-11 | — | — | US | disclosed |
| CN-1156452-A | Substituted cinnamic hydroxamic and cinnamic hydroxyamide derivatives | BASF AG (DE) | 1997-08-06 | — | — | CN | disclosed |