⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21963354 | 0.84 | — | — | |
| SCHEMBL24978403 | 0.75 | ELOVL1 (0.37) | — | |
| SCHEMBL22019934 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL22021182 | 0.73 | BRD4 (0.34) | — | |
| SCHEMBL22019932 | 0.72 | NLRP3 (0.35) | — | |
| SCHEMBL20681288 | 0.71 | NLRP3 (0.34) | — | |
| SCHEMBL22019935 | 0.68 | CA12 (0.33) | — | |
| SCHEMBL24978416 | 0.66 | MAP3K12 (0.35) | — | |
| SCHEMBL24978329 | 0.66 | WDR5 (0.33) | — | |
| SCHEMBL22012092 | 0.66 | TRPV4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |