⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7254434 | 0.81 | — | — | |
| SCHEMBL4306987 | 0.80 | — | — | |
| SCHEMBL14659307 | 0.77 | — | — | |
| SCHEMBL25301811 | 0.73 | — | — | |
| SCHEMBL4488810 | 0.73 | — | — | |
| SCHEMBL7253158 | 0.73 | — | — | |
| SCHEMBL1276624 | 0.71 | — | — | |
| SCHEMBL4301873 | 0.71 | CHRM1 (0.34) | — | |
| SCHEMBL3035044 | 0.70 | CTSK (0.40) | — | |
| SCHEMBL29895953 | 0.70 | CTSK (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 5 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 |
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |