⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4744273 | 0.89 | CYP3A4 (0.31) | — | |
| SCHEMBL5227738 | 0.78 | CYP1A2 (0.40) | — | |
| SCHEMBL64917 | 0.78 | CYP1A2 (0.40) | — | |
| SCHEMBL1443600 | 0.75 | CYP2A6 (0.35) | — | |
| SCHEMBL234550 | 0.75 | CYP3A4 (0.42) | — | |
| SCHEMBL356683 | 0.75 | CYP3A4 (0.42) | — | |
| SCHEMBL3621313 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL4619337 | 0.73 | CYP3A4 (0.41) | — | |
| SCHEMBL16180769 | 0.73 | CYP3A4 (0.41) | — | |
| SCHEMBL3632076 | 0.72 | HSD17B2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647647-A1 | Tertiary phosphine compound and transition metal complex comprising the same as ligand | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-04-12 | — | — | EP | disclosed |