⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12859646 | 0.74 | CYP19A1 (0.41) | — | |
| SCHEMBL12464963 | 0.74 | CYP19A1 (0.41) | — | |
| SCHEMBL4898541 | 0.74 | CYP19A1 (0.41) | — | |
| SCHEMBL9751376 | 0.68 | HTT (0.33) | — | |
| SCHEMBL13176769 | 0.68 | HTT (0.47) | — | |
| SCHEMBL11884817 | 0.65 | CYP19A1 (0.41) | — | |
| SCHEMBL9751374 | 0.65 | — | — | |
| SCHEMBL10432841 | 0.63 | CYP19A1 (0.33) | — | |
| SCHEMBL9418493 | 0.63 | CYP19A1 (0.33) | — | |
| SCHEMBL27694966 | 0.63 | CYP19A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5089046-A | Herbicides or miticide | SANDOZ LTD. (CH) | 1992-02-18 | — | — | US | disclosed |
| US-4921526-A | Substituted bicycloakly-1,3-diones | SANDOZ LTD. (CH) | 1990-05-01 | — | — | US | disclosed |
| EP-0336898-A2 | Substituted aryl or heteroaryl diones | SANDOZ AG (CH) | 1989-10-11 | — | — | EP | disclosed |