⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL2192190 | 0.96 | — | — | |
| SCHEMBL30498455 | 0.96 | — | — | |
| SCHEMBL25008 | 0.96 | — | — | |
| SCHEMBL28283743 | 0.92 | — | — | |
| SCHEMBL27982493 | 0.92 | — | — | |
| Ethylene Glycol SCHEMBL27678608 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28029274 | 0.92 | — | — | |
| Cyanide SCHEMBL28415384 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL16240074 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL11319645 | 0.89 | — | — |
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-117728030-A | Sodium metal battery electrolyte and sodium metal battery | 蓝固(湖州)新能源科技有限公司 | 2024-03-19 | — | — | CN | claimed |