⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31314104 | 1.00 | — | — | |
| SCHEMBL29652158 | 0.75 | — | — | |
| SCHEMBL324446 | 0.75 | — | — | |
| SCHEMBL2234353 | 0.69 | LMNA (0.55) | — | |
| SCHEMBL30754265 | 0.69 | PABPC1 (0.31) | — | |
| SCHEMBL27292448 | 0.68 | — | — | |
| SCHEMBL1173994 | 0.66 | LMNA (0.36) | — | |
| SCHEMBL13851094 | 0.65 | LMNA (0.56) | — | |
| SCHEMBL28468532 | 0.65 | LMNA (0.44) | — | |
| SCHEMBL68280 | 0.65 | LMNA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |