⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL781045 | 0.75 | — | — | |
| SCHEMBL22826493 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL22826483 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL17900052 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL22807010 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL18870460 | 0.67 | — | — | |
| SCHEMBL776400 | 0.66 | MMP2 (0.32) | — | |
| SCHEMBL777878 | 0.66 | PTPN5 (0.31) | — | |
| SCHEMBL3275861 | 0.63 | — | — | |
| SCHEMBL5081516 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9252457-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-02-02 | — | — | 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 |