⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23569351 | 0.70 | — | — | |
| SCHEMBL9414397 | 0.67 | TYR (0.30) | — | |
| SCHEMBL129653 | 0.67 | CHRM3 (0.41) | — | |
| SCHEMBL12615412 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL20933012 | 0.66 | MAPK14 (0.32) | — | |
| SCHEMBL129652 | 0.66 | — | — | |
| SCHEMBL22020012 | 0.66 | CA2 (0.32) | — | |
| SCHEMBL16742869 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL22013670 | 0.64 | CA2 (0.38) | — | |
| SCHEMBL7144702 | 0.63 | CA2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021093820-A1 | AMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2021-05-20 | — | — | WO | disclosed |
| US-10654816-B2 | Compounds and compositions for treating conditions associated with NLRP activity | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-19 | — | — | US | disclosed |