⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25875973 | 0.91 | — | — | |
| SCHEMBL25876241 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL25875947 | 0.89 | MEN1 (0.37) | — | |
| SCHEMBL25876305 | 0.88 | PIK3CA (0.39) | — | |
| SCHEMBL25876281 | 0.87 | PDE1A (0.34) | — | |
| SCHEMBL25876085 | 0.86 | MERTK (0.33) | — | |
| SCHEMBL25875751 | 0.84 | TP53 (0.32) | — | |
| SCHEMBL25875899 | 0.83 | KLKB1 (0.33) | — | |
| SCHEMBL25876137 | 0.81 | PIK3CA (0.35) | — | |
| SCHEMBL25876054 | 0.80 | PDE9A (0.31) | — |
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-20230234954-A1 | COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF | TYK MEDICINES, INC. (CN) | 2023-07-27 | — | — | US | disclosed |