⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL176610 | 0.97 | — | — | |
| SCHEMBL30542351 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL218387 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL28636550 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL217106 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL25485911 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL217428 | 0.94 | CES2 (0.58) | — | |
| SCHEMBL215922 | 0.94 | CES2 (0.58) | — | |
| Cyclohexane Carboxamide SCHEMBL26181 | 0.94 | — | — | |
| SCHEMBL30542352 | 0.94 | CES2 (0.58) | — |
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-115181134-B | Trifluoromethyl-containing platinum anti-tumor compound and preparation method and application thereof | 浙江工业大学 | 2024-04-16 | — | — | CN | disclosed |