⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9864859 | 1.00 | — | — | |
| SCHEMBL9866882 | 0.63 | DRD4 (0.39) | — | |
| SCHEMBL9866887 | 0.63 | DRD4 (0.39) | — | |
| SCHEMBL9866519 | 0.56 | NOTUM (0.31) | — | |
| SCHEMBL9865315 | 0.56 | USP2 (0.44) | — | |
| SCHEMBL9865307 | 0.56 | USP2 (0.44) | — | |
| SCHEMBL22298427 | 0.53 | ALDH1A1 (0.41) | — | |
| SCHEMBL22298458 | 0.53 | NOS3 (0.38) | — | |
| SCHEMBL20892473 | 0.53 | BRD4 (0.37) | — | |
| SCHEMBL354098 | 0.53 | ACHE (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0347378-A1 | Imidazole derivatives | CIBA-GEIGY AG (CH) | 1989-12-20 | — | — | EP | claimed |
| US-4992090-A | Herbicidally active 5,6-dihydrocyclopentathiophenyl-imidazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0347378-A1 | Imidazole derivatives | CIBA-GEIGY AG (CH) | 1989-12-20 | — | — | EP | disclosed |