⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393576 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL2456342 | 0.74 | — | — | |
| SCHEMBL6070992 | 0.71 | — | — | |
| SCHEMBL22230725 | 0.69 | — | — | |
| SCHEMBL14084389 | 0.68 | TYR (0.34) | — | |
| SCHEMBL21393692 | 0.67 | — | — | |
| SCHEMBL11973898 | 0.67 | APOBEC3A (0.36) | — | |
| SCHEMBL6951635 | 0.65 | KDM5A (0.30) | — | |
| SCHEMBL22209898 | 0.65 | APOBEC3A (0.35) | — | |
| SCHEMBL20011458 | 0.64 | GAA (0.32) | — |
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-3544979-B1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2019182925-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-26 | — | — | WO | disclosed |