⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL373016 | 0.95 | CYP1A2 (0.38) | — | |
| SCHEMBL2533761 | 0.92 | CYP2C19 (0.38) | — | |
| SCHEMBL2532414 | 0.92 | CYP2C19 (0.38) | — | |
| SCHEMBL2533461 | 0.89 | — | — | |
| SCHEMBL805255 | 0.76 | — | — | |
| SCHEMBL10806050 | 0.76 | — | — | |
| SCHEMBL5556030 | 0.74 | — | — | |
| SCHEMBL19867134 | 0.74 | — | — | |
| SCHEMBL17852215 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29279740 | 0.74 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113698317-A | Synthetic method of apatamide, intermediate and synthetic method thereof | 苏州科伦药物研究有限公司 | 2021-11-26 | — | — | CN | disclosed |
| EP-0914206-A1 | LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS | CARNEGIE-MELLON UNIVERSITY (US) | 1999-05-12 | — | — | EP | disclosed |
| WO-1998003263-A1 | LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS | CARNEGIE MELLON UNIVERSITY (US) | 1998-01-29 | — | — | WO | disclosed |