⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3629495 | 0.81 | — | — | |
| SCHEMBL1924073 | 0.81 | — | — | |
| SCHEMBL15329885 | 0.79 | — | — | |
| SCHEMBL17803936 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL17803934 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL17227794 | 0.78 | — | — | |
| SCHEMBL4345304 | 0.76 | — | — | |
| SCHEMBL3085888 | 0.73 | — | — | |
| SCHEMBL237787 | 0.73 | — | — | |
| SCHEMBL12564812 | 0.72 | TP53 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117154222-A | Secondary battery and electric device | 浙江锂威能源科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| US-9070951-B2 | Solvent for nonaqueous electrolyte solution of lithium secondary battery | DAIKIN INDUSTRIES, LTD. (JP) | 2015-06-30 | — | — | US | disclosed |
| US-20120183867-A1 | SOLVENT FOR NONAQUEOUS ELECTROLYTE SOLUTION OF LITHIUM SECONDARY BATTERY | DAIKIN INDUSTRIES, LTD. (JP) | 2012-07-19 | — | — | US | disclosed |