⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22908339 | 0.92 | — | — | |
| SCHEMBL22908456 | 0.87 | NLRP3 (0.53) | — | |
| SCHEMBL22908457 | 0.81 | — | — | |
| SCHEMBL22908353 | 0.81 | ALDH1A1 (0.51) | — | |
| SCHEMBL22908345 | 0.79 | NLRP3 (0.55) | — | |
| SCHEMBL22908324 | 0.79 | — | — | |
| SCHEMBL22908325 | 0.78 | NLRP3 (0.54) | — | |
| SCHEMBL22908343 | 0.77 | NLRP3 (0.56) | — | |
| SCHEMBL22908360 | 0.77 | — | — | |
| SCHEMBL22908333 | 0.76 | NLRP3 (0.51) | — |
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-2021011592-A1 | COMPOUNDS AS NLRP3 INFLAMMASOME INHIBITORS AND COMPOSITIONS AND USES THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2021-01-21 | — | — | WO | disclosed |