⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25033953 | 0.84 | GHSR (0.32) | — | |
| SCHEMBL25034037 | 0.84 | GHSR (0.32) | — | |
| SCHEMBL22012720 | 0.84 | GHSR (0.32) | — | |
| SCHEMBL22012113 | 0.75 | NR1H2 (0.45) | — | |
| SCHEMBL21962612 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL21962226 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL22012724 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL22012905 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL22013637 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL22012118 | 0.68 | PARP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |