⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19348779 | 0.83 | LPAR2 (0.31) | — | |
| SCHEMBL9570202 | 0.80 | LPAR2 (0.32) | — | |
| SCHEMBL19348800 | 0.79 | — | — | |
| SCHEMBL30605 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL3507987 | 0.74 | CYP3A4 (0.32) | — | |
| SCHEMBL4098208 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL19348777 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL898204 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL3203191 | 0.72 | TP53 (0.32) | — | |
| SCHEMBL4439630 | 0.72 | LPAR2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9203113-B2 | Nonaqueous electrolyte solution, electrochemical element using same, and 1,2-dioxypropane compound used in same | UBE INDUSTRIES, LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| EP-2555309-B1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | UBE INDUSTRIES (JP) | 2015-02-25 | — | — | EP | disclosed |
| EP-2555309-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | Ube Industries, Ltd. (JP) | 2013-02-06 | — | — | EP | disclosed |
| US-20130004862-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | UBE INDUSTRIES LTD (JP) | 2013-01-03 | — | — | US | disclosed |