⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22012032 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL22020707 | 0.56 | — | — | |
| SCHEMBL25033895 | 0.50 | LTB4R (0.31) | — | |
| SCHEMBL25067018 | 0.49 | — | — | |
| SCHEMBL20681132 | 0.49 | GAA (0.31) | — | |
| SCHEMBL25033963 | 0.47 | — | — | |
| SCHEMBL26785203 | 0.45 | — | — | |
| SCHEMBL18802760 | 0.44 | ALDH1A1 (0.40) | — | |
| SCHEMBL24131431 | 0.42 | ALDH1A1 (0.38) | — | |
| SCHEMBL18421462 | 0.42 | PGR (0.46) | — |
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-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |