⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20154250 | 0.85 | PIK3CA (0.33) | — | |
| SCHEMBL25047496 | 0.64 | — | — | |
| SCHEMBL25289346 | 0.61 | KIT (0.30) | — | |
| SCHEMBL25047229 | 0.57 | — | — | |
| SCHEMBL31216544 | 0.57 | CYP19A1 (0.35) | — | |
| SCHEMBL24588924 | 0.54 | MEN1 (0.34) | — | |
| SCHEMBL16411414 | 0.53 | KIT (0.41) | — | |
| SCHEMBL18148620 | 0.53 | KDM4E (0.38) | — | |
| SCHEMBL24496307 | 0.53 | AR (0.32) | — | |
| SCHEMBL13621439 | 0.49 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790149-B | Phenoxytriazoles | 豪夫迈·罗氏有限公司 | 2022-05-17 | — | — | CN | disclosed |
| US-11319314-B2 | Phenoxytriazoles | HOFFMANN-LA ROCHE INC. (US) | 2022-05-03 | — | — | US | disclosed |
| US-20210309653-A1 | PHENOXYTRIAZOLES | HOFFMANN-LA ROCHE INC. (US) | 2021-10-07 | — | — | US | disclosed |
| EP-3538516-B1 | PHENOXYTRIAZOLES | HOFFMANN LA ROCHE (CH) | 2021-06-16 | — | — | EP | disclosed |
| EP-3538516-A1 | PHENOXYTRIAZOLES | F. Hoffmann-La Roche AG (CH) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018087018-A1 | PHENOXYTRIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018087018-A1 | PHENOXYTRIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-17 | — | — | WO | disclosed |