⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28049846 | 0.96 | — | — | |
| Chloromethane SCHEMBL27584162 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL27896308 | 0.89 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL8896085 | 0.87 | ALDH1A1 (0.67) | — | |
| Tetrahydrofuran SCHEMBL17162024 | 0.86 | — | — | |
| SCHEMBL3455441 | 0.85 | ALDH1A1 (1.00) | — | |
| SCHEMBL30432886 | 0.85 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.85 | — | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.85 | — | — | |
| SCHEMBL30466481 | 0.85 | ALDH1A1 (1.00) | — |
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-117916219-A | Quaternary amine salt compound for resisting bladder cancer and application thereof | 石家庄迪斯凯威医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |