⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29404525 | 0.95 | — | — | |
| SCHEMBL29314 | 0.95 | — | — | |
| Lithium SCHEMBL9651351 | 0.91 | — | — | |
| SCHEMBL9651341 | 0.91 | — | — | |
| SCHEMBL18173477 | 0.84 | CYP2A6 (0.61) | — | |
| Methyl Alcohol SCHEMBL5898900 | 0.84 | ALDH1A1 (0.56) | — | |
| Propane SCHEMBL11811265 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL11263745 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL25427961 | 0.75 | CA1 (0.46) | — | |
| Alcohol SCHEMBL19689479 | 0.75 | ALDH1A1 (0.48) | — |
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-110475783-B | Cationic ruthenium complex, preparation method and application thereof | 高砂香料工业株式会社 | 2022-10-21 | — | — | CN | disclosed |