⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23950336 | 0.82 | NLRP3 (0.39) | — | |
| SCHEMBL23950159 | 0.74 | PARP1 (0.37) | — | |
| SCHEMBL23950197 | 0.73 | NLRP3 (0.46) | — | |
| SCHEMBL23950157 | 0.73 | GAA (0.30) | — | |
| SCHEMBL23950339 | 0.70 | AURKA (0.31) | — | |
| SCHEMBL23950371 | 0.70 | PDE4B (0.37) | — | |
| SCHEMBL23950345 | 0.69 | PARP1 (0.36) | — | |
| SCHEMBL23950368 | 0.69 | GAA (0.30) | — | |
| SCHEMBL23950525 | 0.66 | PDE4B (0.39) | — | |
| SCHEMBL30149245 | 0.64 | PDE4B (0.38) | — |
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 3 patents. 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 |
| 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 |
| WO-2021209552-A1 | PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY | JANSSEN PHARMACEUTICA NV (BE) | 2021-10-21 | — | — | WO | disclosed |