⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30184473 | 0.77 | — | — | |
| SCHEMBL31363366 | 0.77 | LRRK2 (0.34) | — | |
| SCHEMBL25030877 | 0.77 | — | — | |
| SCHEMBL31634117 | 0.73 | — | — | |
| SCHEMBL29212491 | 0.67 | — | — | |
| SCHEMBL29212385 | 0.62 | GRM1 (0.32) | — | |
| SCHEMBL29212406 | 0.62 | CA12 (0.42) | — | |
| SCHEMBL5724243 | 0.61 | RECQL (0.33) | — | |
| SCHEMBL29212287 | 0.60 | MAOA (0.36) | — | |
| SCHEMBL25032056 | 0.59 | IDO1 (0.32) | — |
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-117813295-A | Compounds targeting p53 mutants | 北京加科思新药研发有限公司 | 2024-04-02 | — | — | CN | disclosed |