⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21469054 | 0.80 | P2RX3 (0.35) | — | |
| SCHEMBL25162079 | 0.74 | P2RX3 (0.33) | — | |
| SCHEMBL25162071 | 0.71 | — | — | |
| SCHEMBL25162070 | 0.69 | — | — | |
| SCHEMBL21468906 | 0.67 | DHODH (0.41) | — | |
| SCHEMBL24075279 | 0.66 | DHODH (0.37) | — | |
| SCHEMBL21468904 | 0.65 | MEN1 (0.32) | — | |
| SCHEMBL25162459 | 0.65 | DHODH (0.41) | — | |
| SCHEMBL29251241 | 0.63 | DHODH (0.49) | — | |
| SCHEMBL25249105 | 0.62 | — | — |
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-4166551-A1 | TRIAZOLONE COMPOUND | Medshine Discovery Inc. (CN) | 2023-04-19 | — | — | EP | disclosed |
| WO-2021238881-A1 | TRIAZOLONE COMPOUND | 南京明德新药研发有限公司 | 2021-12-02 | — | — | WO | disclosed |