⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10964050 | 0.72 | — | — | |
| SCHEMBL4386192 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL9495942 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL12714297 | 0.66 | — | — | |
| SCHEMBL2076631 | 0.66 | — | — | |
| SCHEMBL443248 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL6796446 | 0.65 | — | — | |
| SCHEMBL17356120 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL7048356 | 0.64 | — | — | |
| SCHEMBL5014889 | 0.64 | — | — |
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-107417530-B | Bicarboxylate compound for nonaqueous electrolyte, nonaqueous electrolyte containing same and secondary battery | 微宏动力系统（湖州）有限公司 | 2021-02-09 | — | — | CN | claimed |