⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20760555 | 0.73 | CA1 (0.34) | — | |
| SCHEMBL11021800 | 0.69 | SLC22A6 (0.34) | — | |
| SCHEMBL1724699 | 0.65 | GAA (0.33) | — | |
| SCHEMBL24969009 | 0.62 | — | — | |
| SCHEMBL28240410 | 0.62 | ALOX15 (0.40) | — | |
| SCHEMBL23516732 | 0.61 | — | — | |
| SCHEMBL26314580 | 0.61 | — | — | |
| SCHEMBL26315040 | 0.61 | CA12 (0.30) | — | |
| SCHEMBL20744183 | 0.60 | CA2 (0.32) | — | |
| SCHEMBL16013532 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020154321-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-07-30 | — | — | WO | disclosed |