⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4301202 | 0.80 | — | — | |
| SCHEMBL7254434 | 0.75 | — | — | |
| SCHEMBL4301205 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL2457157 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL4300648 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL4298813 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4301757 | 0.69 | HSD17B10 (0.30) | — | |
| SCHEMBL1766650 | 0.69 | — | — | |
| SCHEMBL3043086 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL3040261 | 0.68 | ALDH1A1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1772924-B1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | UBE INDUSTRIES (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-7629085-B2 | sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone | UBE INDUSTRIES, LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20070231707-A1 | Nonaqueous Electrolytic Solution and Lithium Secondary Battery | MU IONIC SOLUTIONS CORPORATION (JP) | 2007-10-04 | — | — | US | disclosed |
| EP-1772924-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | Ube Industries, Ltd. (JP) | 2007-04-11 | — | — | EP | disclosed |