⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20393120 | 0.69 | — | — | |
| SCHEMBL20406349 | 0.69 | — | — | |
| SCHEMBL24258301 | 0.68 | — | — | |
| SCHEMBL24634837 | 0.65 | — | — | |
| SCHEMBL12601648 | 0.65 | — | — | |
| SCHEMBL24258346 | 0.65 | — | — | |
| SCHEMBL23280803 | 0.64 | — | — | |
| SCHEMBL22902062 | 0.63 | — | — | |
| SCHEMBL20406136 | 0.63 | — | — | |
| SCHEMBL14238750 | 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-4079725-A1 | N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS | Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) | 2022-10-26 | — | — | EP | disclosed |