⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29185964 | 0.79 | CA2 (0.36) | — | |
| SCHEMBL495294 | 0.65 | — | — | |
| SCHEMBL28412659 | 0.61 | — | — | |
| SCHEMBL28259411 | 0.57 | — | — | |
| SCHEMBL1331764 | 0.55 | — | — | |
| SCHEMBL7448 | 0.55 | — | — | |
| Sulfuric Acid Dimethyl Ester SCHEMBL28439586 | 0.55 | USP2 (0.39) | — | |
| SCHEMBL28443037 | 0.55 | USP2 (0.32) | — | |
| SCHEMBL608487 | 0.55 | CA1 (0.30) | — | |
| SCHEMBL2038829 | 0.55 | — | — |
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-117691188-A | Water removal additive, electrolyte obtained by water removal additive and lithium ion battery | 山东海科创新研究院有限公司 | 2024-03-12 | — | — | CN | disclosed |