⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18902756 | 0.80 | — | — | |
| SCHEMBL24386605 | 0.80 | — | — | |
| SCHEMBL12131649 | 0.76 | — | — | |
| SCHEMBL13940256 | 0.71 | — | — | |
| SCHEMBL23998745 | 0.71 | — | — | |
| SCHEMBL24975278 | 0.71 | — | — | |
| SCHEMBL19392152 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL23426168 | 0.69 | — | — | |
| SCHEMBL13283338 | 0.69 | — | — | |
| SCHEMBL21608827 | 0.68 | — | — |
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-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |