⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2363788 | 0.77 | CYP17A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28697092 | 0.76 | CYP17A1 (0.45) | — | |
| Iodide SCHEMBL27886591 | 0.76 | CYP17A1 (0.45) | — | |
| Bromide SCHEMBL28148968 | 0.76 | CYP17A1 (0.45) | — | |
| SCHEMBL17115770 | 0.74 | — | — | |
| SCHEMBL88912 | 0.74 | — | — | |
| SCHEMBL1173138 | 0.74 | — | — | |
| SCHEMBL2511120 | 0.74 | — | — | |
| SCHEMBL5616569 | 0.74 | — | — | |
| SCHEMBL4878486 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001064631-A2 | DERIVES DE POLYFLUOROALKYLIMIDAZOLE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DES RECEPTEUR MUSCARINIQUES M3 ET SEROTONIQUES 5-HT4 | SANOFI-SYNTHELABO (FR) | 2001-09-07 | — | — | WO | disclosed |