⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2160890 | 0.83 | — | — | |
| SCHEMBL2160924 | 0.81 | MAPT (0.34) | — | |
| SCHEMBL2161008 | 0.80 | CYP2D6 (0.32) | — | |
| SCHEMBL3388440 | 0.80 | — | — | |
| SCHEMBL23610187 | 0.80 | — | — | |
| SCHEMBL1506875 | 0.80 | — | — | |
| SCHEMBL23923580 | 0.80 | — | — | |
| SCHEMBL28162139 | 0.78 | MMP1 (0.32) | — | |
| SCHEMBL3389435 | 0.77 | PTPN1 (0.32) | — | |
| SCHEMBL3391438 | 0.76 | PTPN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1729365-B1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME | UBE INDUSTRIES (JP) | 2010-12-22 | — | — | EP | disclosed |
| US-20080241704-A1 | Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same | UBE INDUSTRIES, LTD (JP) | 2008-10-02 | — | — | US | disclosed |
| EP-1729365-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | Ube Industries, Ltd. (JP) | 2006-12-06 | — | — | EP | disclosed |