⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23890503 | 0.73 | — | — | |
| SCHEMBL22940639 | 0.73 | — | — | |
| SCHEMBL23219697 | 0.72 | — | — | |
| SCHEMBL25783736 | 0.70 | — | — | |
| SCHEMBL12426311 | 0.70 | — | — | |
| SCHEMBL19265081 | 0.70 | — | — | |
| SCHEMBL1230959 | 0.65 | — | — | |
| SCHEMBL15785567 | 0.64 | — | — | |
| SCHEMBL22479571 | 0.64 | — | — | |
| SCHEMBL19058096 | 0.64 | — | — |
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-20230183248-A1 | PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY | JANSSEN PHARMACEUTICA NV (BE) | 2023-06-15 | — | — | US | disclosed |