⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8484124 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL9568932 | 0.80 | HPGD (0.35) | — | |
| SCHEMBL5846557 | 0.74 | CYP3A4 (0.42) | — | |
| SCHEMBL9834892 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL30017045 | 0.70 | CYP3A4 (0.42) | — | |
| SCHEMBL10938599 | 0.70 | PPOX (0.32) | — | |
| SCHEMBL8486447 | 0.69 | — | — | |
| SCHEMBL10986658 | 0.69 | CA12 (0.36) | — | |
| SCHEMBL12005824 | 0.67 | CYP3A4 (0.47) | — | |
| SCHEMBL8485658 | 0.67 | TDP1 (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-0416361-A1 | N-(5-alkyl thiophenyl)-nitrogenheterocycles | BAYER AG (DE) | 1991-03-13 | — | — | EP | disclosed |