⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16667230 | 1.00 | — | — | |
| SCHEMBL16667447 | 0.91 | — | — | |
| SCHEMBL16667471 | 0.91 | P2RX3 (0.38) | — | |
| SCHEMBL16667452 | 0.91 | — | — | |
| SCHEMBL16667434 | 0.91 | P2RX3 (0.38) | — | |
| SCHEMBL16667326 | 0.88 | P2RX3 (0.35) | — | |
| SCHEMBL2272789 | 0.86 | — | — | |
| SCHEMBL2275831 | 0.86 | — | — | |
| SCHEMBL18036356 | 0.83 | P2RX3 (0.40) | — | |
| SCHEMBL18036372 | 0.83 | P2RX3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2607356-B1 | Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2015-04-29 | — | — | EP | claimed |