⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3469391 | 0.82 | — | — | |
| SCHEMBL4611197 | 0.76 | — | — | |
| SCHEMBL2988871 | 0.73 | — | — | |
| SCHEMBL2988766 | 0.70 | — | — | |
| SCHEMBL3469649 | 0.69 | HTT (0.37) | — | |
| SCHEMBL2995888 | 0.66 | ALDH1A1 (0.36) | — | |
| Dimethyl Acetylphosphonate SCHEMBL2459022 | 0.65 | — | — | |
| SCHEMBL575804 | 0.65 | ACHE (0.30) | — | |
| SCHEMBL6563130 | 0.65 | PGK1 (0.36) | — | |
| SCHEMBL2991822 | 0.65 | — | — |
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-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 |
| EP-2237358-A1 | Nonaqueous electrolyte battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-10-06 | — | — | EP | disclosed |
| EP-2128923-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | Mitsubishi Chemical Corporation (JP) | 2009-12-02 | — | — | EP | disclosed |