⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27808751 | 0.97 | — | — | |
| SCHEMBL28621469 | 0.71 | — | — | |
| Propionic Acid SCHEMBL5104660 | 0.69 | — | — | |
| SCHEMBL27825086 | 0.67 | — | — | |
| SCHEMBL28541079 | 0.67 | — | — | |
| SCHEMBL17470591 | 0.67 | ALDH1A1 (0.39) | — | |
| Phosphonic Acid SCHEMBL3793734 | 0.65 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL8445453 | 0.65 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL7230 | 0.65 | — | — | |
| Phosphonic Acid SCHEMBL1768257 | 0.65 | ALDH1A1 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2237358-B1 | Nonaqueous electrolyte battery | MITSUBISHI CHEM CORP (JP) | 2015-08-12 | — | — | EP | disclosed |
| EP-2128923-B1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEM CORP (JP) | 2013-01-16 | — | — | EP | disclosed |
| CN-102780038-A | Nonaqueous electrolyte battery | MITSUBISHI CHEM CORP | 2012-11-14 | — | — | CN | disclosed |
| US-20120156557-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-06-21 | — | — | US | disclosed |
| EP-2237358-A1 | Nonaqueous electrolyte battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-10-06 | — | — | EP | disclosed |
| CN-101622751-A | Nonaqueous electrolyte solution and nonaqueous electrolyte battery | MITSUBISHI CHEM CORP | 2010-01-06 | — | — | CN | disclosed |
| EP-2128923-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | Mitsubishi Chemical Corporation (JP) | 2009-12-02 | — | — | EP | disclosed |
| EP-1432718-A1 | CHEMICAL COMPOUNDS | AstraZeneca AB (SE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027128-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-04-03 | — | — | WO | disclosed |