⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31593682 | 0.79 | EPHX1 (0.32) | — | |
| SCHEMBL4072059 | 0.78 | EPHX1 (0.39) | — | |
| SCHEMBL778628 | 0.76 | — | — | |
| SCHEMBL2492271 | 0.76 | EPHX1 (0.43) | — | |
| SCHEMBL6058667 | 0.76 | EPHX1 (0.43) | — | |
| Fluoride SCHEMBL19584764 | 0.74 | EPHX1 (0.41) | — | |
| SCHEMBL16191190 | 0.73 | — | — | |
| SCHEMBL17132659 | 0.73 | — | — | |
| SCHEMBL8078389 | 0.73 | — | — | |
| SCHEMBL8516980 | 0.69 | TP53 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9343777-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-05-17 | — | — | US | disclosed |
| US-9252457-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-02-02 | — | — | US | disclosed |
| US-20120177988-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-07-12 | — | — | US | disclosed |
| US-20120070731-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20090325065-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-12-31 | — | — | US | disclosed |