⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24977962 | 0.86 | — | — | |
| SCHEMBL24978263 | 0.81 | — | — | |
| SCHEMBL24978101 | 0.77 | — | — | |
| SCHEMBL22019965 | 0.76 | NPSR1 (0.31) | — | |
| SCHEMBL24978513 | 0.75 | — | — | |
| SCHEMBL24977963 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL24977991 | 0.72 | — | — | |
| SCHEMBL24978159 | 0.71 | — | — | |
| SCHEMBL24977977 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL22019756 | 0.70 | KDM4E (0.35) | — |
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 |