⚠ 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 | 0.89 | — | — | |
| SCHEMBL31314309 | 0.89 | — | — | |
| SCHEMBL31314129 | 0.84 | ALOX5AP (0.32) | — | |
| SCHEMBL31314127 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL25859857 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL25859461 | 0.79 | — | — | |
| SCHEMBL25859182 | 0.78 | CHRNB2 (0.35) | — | |
| SCHEMBL25859018 | 0.77 | CACNA2D1 (0.34) | — | |
| SCHEMBL25859255 | 0.76 | CYP1A1 (0.33) | — | |
| SCHEMBL25859894 | 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 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 |