⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22014633 | 0.82 | POLB (0.34) | — | |
| SCHEMBL15082628 | 0.80 | GABRA1 (0.31) | — | |
| SCHEMBL21603336 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL19507331 | 0.79 | GABRA1 (0.34) | — | |
| SCHEMBL23012879 | 0.79 | GABRA1 (0.34) | — | |
| SCHEMBL341228 | 0.77 | CA1 (0.35) | — | |
| SCHEMBL20681184 | 0.76 | NLRP3 (0.35) | — | |
| SCHEMBL13377140 | 0.76 | GABRA1 (0.31) | — | |
| SCHEMBL20223455 | 0.76 | GABRA1 (0.35) | — | |
| SCHEMBL9003976 | 0.74 | CA1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3445749-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-12-21 | — | — | EP | disclosed |
| US-20190119241-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2019-04-25 | — | — | US | disclosed |
| WO-2017184604-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | IFM THERAPEUTICS, INC (US) | 2017-10-26 | — | — | WO | disclosed |