⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28393446 | 0.80 | SLC6A3 (0.30) | — | |
| SCHEMBL26007509 | 0.78 | SLC6A3 (0.31) | — | |
| Lithium Ion SCHEMBL21963191 | 0.78 | — | — | |
| SCHEMBL21962261 | 0.76 | — | — | |
| SCHEMBL24978436 | 0.75 | — | — | |
| SCHEMBL28628569 | 0.70 | — | — | |
| SCHEMBL15978522 | 0.68 | — | — | |
| SCHEMBL23561446 | 0.65 | ASPH (0.41) | — | |
| SCHEMBL3989938 | 0.65 | HCAR2 (0.52) | — | |
| SCHEMBL18071029 | 0.65 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166065-A | Compounds and compositions for treating conditions associated with NLRP activity | 诺华股份有限公司 | 2021-07-23 | — | — | CN | disclosed |