⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9688372 | 0.92 | — | — | |
| SCHEMBL50664 | 0.90 | MAPT (0.50) | — | |
| SCHEMBL50679 | 0.90 | MAPT (0.50) | — | |
| SCHEMBL1617182 | 0.82 | — | — | |
| SCHEMBL14571190 | 0.82 | DNM1 (0.45) | — | |
| SCHEMBL7176349 | 0.77 | DNM1 (0.48) | — | |
| SCHEMBL7772676 | 0.77 | — | — | |
| SCHEMBL7779952 | 0.77 | — | — | |
| SCHEMBL10231127 | 0.77 | — | — | |
| SCHEMBL18394719 | 0.74 | DNM1 (0.52) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108878975-B | Electrolyte and secondary battery including the same | 宁德时代新能源科技股份有限公司 | 2020-02-21 | — | — | CN | disclosed |
| US-9139774-B2 | Diacetylene derivative and liquid crystalline polymer having diacetylene structure | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2015-09-22 | — | — | US | disclosed |
| US-20130324684-A1 | DIACETYLENE DERIVATIVE AND LIQUID CRYSTALLINE POLYMER HAVING DIACETYLENE STRUCTURE | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2013-12-05 | — | — | US | disclosed |
| EP-2432780-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | Sumitomo Chemical Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |
| US-20120041009-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-02-16 | — | — | US | disclosed |
| WO-2010134478-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-25 | — | — | WO | disclosed |
| EP-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0675188-B1 | Optically active tolane derivative | ROLIC AG (CH) | 1999-04-28 | — | — | EP | disclosed |
| US-5888423-A | Fluorobenzyl ether derivatives | ROLIC AG (CH) | 1999-03-30 | — | — | US | disclosed |
| US-5681504-A | LIQUID CRYSTAL DOPANTS | ROLIC AG (CH) | 1997-10-28 | — | — | US | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |
| EP-0534258-A1 | Chiral oxazolines as dopants for liquid crystals mixtures | F. HOFFMANN-LA ROCHE AG (CH) | 1993-03-31 | — | — | EP | disclosed |
| EP-0515972-A1 | Polymerizable liquid crystal materials and polymer compositions displaying ferroelectric smectic liquid crystal phases | MERCK PATENT GmbH (DE) | 1992-12-02 | — | — | EP | disclosed |
| US-5100577-A | FERROELECTRIC LIQUID CRYSTAL MIXTURES AND COMPOUNDS AS WELL AS ELECTRO-OPTICAL DEVICES EMPLOYING SAME | HOFFMAN-LA ROCHE INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0442306-A2 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | F. Hoffmann-La Roche AG (CH) | 1991-08-21 | — | — | EP | disclosed |
| EP-0441213-A2 | Chiral dioxolanes | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-14 | — | — | EP | disclosed |
| US-5032312-A | Liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0410233-A2 | (4-Arylbutyl) cyclohexane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | disclosed |
| EP-0393501-A1 | Liquid crystal components with a trans-3-cyclohexylallyloxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1990-10-24 | — | — | EP | disclosed |
| EP-0269963-A2 | Ferroelectric liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1988-06-08 | — | — | EP | disclosed |