⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2989890 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL1378510 | 0.76 | — | — | |
| SCHEMBL2987558 | 0.76 | — | — | |
| SCHEMBL28471443 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL3072968 | 0.74 | — | — | |
| SCHEMBL2982561 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL28467229 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL2989892 | 0.73 | ALDH1A1 (0.40) | — | |
| Disodium Ethoxycarbonylphosphonate SCHEMBL10886559 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL2240528 | 0.72 | CA12 (0.47) | — |
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-8962192-B2 | Nonaqueous electrolytic solution and nonaqueous electrolyte battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8574757-B2 | Nonaqueous electrolytic solution and nonaqueous electrolyte battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-11-05 | — | — | US | disclosed |
| US-20120264011-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-10-18 | — | — | US | disclosed |
| US-20100035147-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-02-11 | — | — | US | disclosed |