⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22704981 | 0.80 | GAA (0.32) | — | |
| SCHEMBL22705201 | 0.77 | TTR (0.31) | — | |
| SCHEMBL22705134 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL22401307 | 0.73 | RECQL (0.31) | — | |
| SCHEMBL21962997 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL24592541 | 0.71 | GAA (0.34) | — | |
| SCHEMBL21646616 | 0.69 | RECQL (0.32) | — | |
| SCHEMBL22014427 | 0.68 | GCGR (0.32) | — | |
| SCHEMBL26203726 | 0.68 | CES2 (0.36) | — | |
| SCHEMBL22002739 | 0.67 | RECQL (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3445756-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-07-06 | — | — | EP | disclosed |
| EP-3445757-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RES INC (US) | 2020-11-25 | — | — | EP | disclosed |