⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28634689 | 0.75 | — | — | |
| Lithium Ion SCHEMBL21963191 | 0.75 | — | — | |
| SCHEMBL27989223 | 0.68 | XPO1 (0.33) | — | |
| SCHEMBL128024 | 0.65 | NOS1 (0.44) | — | |
| SCHEMBL128023 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL21939963 | 0.64 | MEN1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL28458799 | 0.63 | NOS1 (0.43) | — | |
| SCHEMBL18641548 | 0.62 | CACNA1G (0.31) | — | |
| SCHEMBL18071029 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL31078390 | 0.62 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230031406-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2023-02-02 | — | — | US | disclosed |