⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22426826 | 0.82 | SLC6A3 (0.35) | — | |
| SCHEMBL126808 | 0.76 | NOS1 (0.43) | — | |
| SCHEMBL16154673 | 0.74 | — | — | |
| SCHEMBL20692099 | 0.74 | NOS1 (0.32) | — | |
| SCHEMBL1565738 | 0.74 | SNCA (0.34) | — | |
| SCHEMBL126807 | 0.74 | — | — | |
| SCHEMBL22020917 | 0.71 | CDK2 (0.42) | — | |
| SCHEMBL17553815 | 0.71 | FDPS (0.39) | — | |
| SCHEMBL17080543 | 0.69 | — | — | |
| SCHEMBL2520194 | 0.69 | TDP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230025630-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2023-01-26 | — | — | US | disclosed |
| WO-2020102098-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |