⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21962118 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL21962167 | 0.84 | NLRP3 (0.34) | — | |
| SCHEMBL22015025 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL21962079 | 0.73 | — | — | |
| SCHEMBL21962080 | 0.73 | — | — | |
| SCHEMBL21962238 | 0.71 | NLRP3 (0.33) | — | |
| SCHEMBL21646783 | 0.62 | RXRA (0.34) | — | |
| SCHEMBL21962244 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL23319827 | 0.59 | — | — | |
| SCHEMBL21962060 | 0.58 | — | — |
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-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |