⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6151632 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL14776452 | 0.79 | — | — | |
| SCHEMBL17331099 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL28984115 | 0.79 | HMGCR (0.39) | — | |
| 1,4-Butanediol SCHEMBL17186662 | 0.77 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL873830 | 0.77 | PTPN7 (0.44) | — | |
| SCHEMBL14118335 | 0.75 | — | — | |
| SCHEMBL2155449 | 0.75 | — | — | |
| SCHEMBL14118332 | 0.75 | — | — | |
| SCHEMBL4189242 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150044554-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-02-12 | — | — | US | disclosed |
| US-20130071731-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-03-21 | — | — | US | disclosed |
| US-20130071730-A1 | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-03-21 | — | — | US | disclosed |
| EP-2571089-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2013-03-20 | — | — | EP | disclosed |