⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25858367 | 0.86 | — | — | |
| SCHEMBL31314309 | 0.86 | — | — | |
| SCHEMBL31314178 | 0.85 | — | — | |
| SCHEMBL25859698 | 0.84 | NLRP3 (0.32) | — | |
| SCHEMBL31314273 | 0.84 | PDCD1 (0.30) | — | |
| SCHEMBL30517807 | 0.83 | EHMT2 (0.35) | — | |
| SCHEMBL25858318 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL31681937 | 0.82 | NLRP3 (0.50) | — | |
| SCHEMBL25858061 | 0.81 | AXL (0.31) | — | |
| SCHEMBL31681911 | 0.81 | NLRP3 (0.41) | — |
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 |