⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21720231 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL12228878 | 0.73 | CYP2A6 (0.32) | — | |
| SCHEMBL27854422 | 0.72 | MPL (0.32) | — | |
| SCHEMBL12228850 | 0.71 | PGR (0.33) | — | |
| SCHEMBL21720236 | 0.67 | — | — | |
| SCHEMBL628006 | 0.66 | — | — | |
| SCHEMBL50659 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL3824261 | 0.63 | CYP2A6 (0.32) | — | |
| SCHEMBL8583526 | 0.63 | KCNN4 (0.42) | — | |
| SCHEMBL21232061 | 0.62 | PGR (0.41) | — |
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 |