⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24978159 | 0.97 | — | — | |
| SCHEMBL24977991 | 0.89 | — | — | |
| SCHEMBL24978154 | 0.79 | HRH2 (0.40) | — | |
| SCHEMBL24978513 | 0.78 | — | — | |
| SCHEMBL24871633 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL24978263 | 0.74 | — | — | |
| SCHEMBL24977969 | 0.74 | NLRP3 (0.38) | — | |
| SCHEMBL24871951 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL24977997 | 0.74 | HRH2 (0.36) | — | |
| SCHEMBL24978070 | 0.74 | NLRP3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230031406-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2023-02-02 | — | — | US | disclosed |