⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23950340 | 0.78 | ALPL (0.53) | — | |
| SCHEMBL28856288 | 0.76 | — | — | |
| SCHEMBL1827221 | 0.76 | MAPK1 (0.47) | — | |
| SCHEMBL4748496 | 0.76 | — | — | |
| SCHEMBL27987635 | 0.74 | — | — | |
| SCHEMBL1374372 | 0.74 | — | — | |
| SCHEMBL24276956 | 0.74 | — | — | |
| SCHEMBL31375431 | 0.74 | — | — | |
| SCHEMBL5599765 | 0.72 | HCAR2 (0.53) | — | |
| SCHEMBL31067527 | 0.71 | PLA2G10 (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 |
|---|---|---|---|---|---|---|---|
| US-20230203044-A1 | PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME | JANSSEN PHARMACEUTICA NV (BE) | 2023-06-29 | — | — | US | disclosed |