⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15271037 | 1.00 | — | — | |
| SCHEMBL17703502 | 0.81 | — | — | |
| SCHEMBL30669490 | 0.77 | — | — | |
| SCHEMBL28713899 | 0.77 | — | — | |
| SCHEMBL1644729 | 0.77 | — | — | |
| SCHEMBL1128276 | 0.75 | — | — | |
| SCHEMBL30640669 | 0.75 | — | — | |
| SCHEMBL3131735 | 0.75 | — | — | |
| SCHEMBL828274 | 0.75 | — | — | |
| SCHEMBL18096142 | 0.75 | — | — |
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-4419532-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2024-08-28 | — | — | EP | disclosed |
| WO-2023066825-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-27 | — | — | WO | disclosed |