⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17239684 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL17239669 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL17239672 | 0.77 | ACHE (0.33) | — | |
| SCHEMBL2557952 | 0.76 | — | — | |
| SCHEMBL1743625 | 0.76 | CYP3A4 (0.38) | — | |
| SCHEMBL1304876 | 0.76 | CYP3A4 (0.38) | — | |
| SCHEMBL10114 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL2371070 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL17239674 | 0.73 | CA1 (0.44) | — | |
| SCHEMBL2550429 | 0.72 | LMNA (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-119365460-A | Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases | 尚医治疗有限责任公司 | 2025-01-24 | — | — | CN | disclosed |