⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10905970 | 0.78 | — | — | |
| SCHEMBL9671218 | 0.78 | — | — | |
| SCHEMBL228531 | 0.75 | — | — | |
| SCHEMBL4278579 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL6613042 | 0.71 | — | — | |
| SCHEMBL20990383 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL18740684 | 0.71 | — | — | |
| SCHEMBL6265028 | 0.71 | — | — | |
| SCHEMBL11231713 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL6661692 | 0.69 | KDM4E (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4923865-A | Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists | U C B SOCIETE ANONYME (BE) | 1990-05-08 | — | — | US | disclosed |