⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9518484 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL9518257 | 0.80 | MAOB (0.31) | — | |
| SCHEMBL9518249 | 0.79 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9518627 | 0.79 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10538412 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL2100736 | 0.73 | ADRA2A (0.36) | — | |
| SCHEMBL10547608 | 0.72 | CYP19A1 (0.42) | — | |
| SCHEMBL9518223 | 0.70 | IAPP (0.31) | — | |
| SCHEMBL9646992 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL9518430 | 0.69 | ALDH1A1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269599-B1 | Substituted 1H-imidazoles | UCB SA (BE) | 1993-12-15 | — | — | EP | claimed |
| US-4814343-A | ANTIISCHEMIC | U C B, S.A. (BE) | 1989-03-21 | — | — | US | claimed |
| EP-0269599-A2 | Substituted 1H-imidazoles | U C B, S.A. (BE) | 1988-06-01 | — | — | EP | claimed |
| EP-0269599-B1 | Substituted 1H-imidazoles | UCB SA (BE) | 1993-12-15 | — | — | EP | disclosed |
| US-4814343-A | ANTIISCHEMIC | U C B, S.A. (BE) | 1989-03-21 | — | — | US | disclosed |
| EP-0269599-A2 | Substituted 1H-imidazoles | U C B, S.A. (BE) | 1988-06-01 | — | — | EP | disclosed |