⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25260899 | 0.88 | EGFR (0.30) | — | |
| SCHEMBL30101076 | 0.83 | TRPV4 (0.41) | — | |
| SCHEMBL28934476 | 0.83 | TRPV4 (0.41) | — | |
| SCHEMBL25300289 | 0.82 | CHRNB2 (0.33) | — | |
| SCHEMBL25857918 | 0.81 | — | — | |
| SCHEMBL28934910 | 0.77 | UCHL1 (0.39) | — | |
| SCHEMBL30517789 | 0.76 | — | — | |
| SCHEMBL28934341 | 0.76 | LPL (0.30) | — | |
| Cyclopentane SCHEMBL25256366 | 0.75 | — | — | |
| SCHEMBL25254463 | 0.75 | MEN1 (0.32) | — |
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 2 patents. 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 |
| CN-116410140-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-07-11 | — | — | CN | disclosed |