⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13103443 | 0.73 | APLNR (0.33) | — | |
| SCHEMBL1964747 | 0.73 | — | — | |
| SCHEMBL26504287 | 0.70 | — | — | |
| SCHEMBL16154380 | 0.70 | — | — | |
| SCHEMBL18717701 | 0.70 | — | — | |
| SCHEMBL19381587 | 0.69 | — | — | |
| SCHEMBL24806833 | 0.67 | — | — | |
| SCHEMBL25144002 | 0.67 | — | — | |
| SCHEMBL24817744 | 0.67 | — | — | |
| SCHEMBL17812414 | 0.65 | APLNR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544979-B1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |