⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15398290 | 0.70 | CHRM1 (0.33) | — | |
| SCHEMBL15759755 | 0.69 | — | — | |
| SCHEMBL16677004 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL17404777 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL17274214 | 0.68 | — | — | |
| SCHEMBL19038578 | 0.65 | — | — | |
| SCHEMBL14252461 | 0.64 | CPB2 (0.31) | — | |
| SCHEMBL27701090 | 0.64 | CA2 (0.42) | — | |
| SCHEMBL27721756 | 0.64 | CA2 (0.42) | — | |
| SCHEMBL16901679 | 0.63 | — | — |
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 | disclosed |