SCHEMBL2803513

SCHEMBL2803513

C=C(C)C(=O)OCCOCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
TSHR P16473 6/20 0.46
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
EPHX2 P34913 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL37108 0.91 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25235967 0.91 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14060478 0.89 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1
Methyl Alcohol SCHEMBL28830046 0.89 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1
Hydrogen Sulfide SCHEMBL329936 0.89 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21404694 0.88 THRB (0.50) THRBTSHR
SCHEMBL21404702 0.88 THRB (0.50) THRBTSHR
Alcohol SCHEMBL4941627 0.88 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10657395 0.87 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12394961 0.86 THRB (0.51) THRBTSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9083026-B2 Electrolyte membrane-electrode assembly for direct methanol fuel cell SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-14 US disclosed
EP-2034547-B1 ELECTROLYTE MEMBRANE-ELECTRODE ASSEMBLY FOR DIRECT METHANOL FUEL CELL SHINETSU CHEMICAL CO (JP) 2013-01-02 EP disclosed
EP-2192646-B1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCTION OF SOLID POLYMER ELECTROLYTE MEMBRANE, AND FUEL CELL SHINETSU CHEMICAL CO (JP) 2012-11-07 EP disclosed
US-20100248071-A1 ELECTROLYTE MEMBRANE-ELECTRODE ASSEMBLY FOR DIRECT METHANOL FUEL CELL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20100239944-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCTION OF SOLID POLYMER ELECTROLYTE MEMBRANE, AND FUEL CELL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-09-23 US disclosed
EP-1879198-B1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING SAME, AND FUEL CELL SHINETSU CHEMICAL CO (JP) 2010-06-02 EP disclosed
EP-2192646-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCTION OF SOLID POLYMER ELECTROLYTE MEMBRANE, AND FUEL CELL Shin-Etsu Chemical Co., Ltd. (JP) 2010-06-02 EP disclosed
EP-2034547-A1 ELECTROLYTE MEMBRANE-ELECTRODE ASSEMBLY FOR DIRECT METHANOL FUEL CELL Shin-Etsu Chemical Co., Ltd. (JP) 2009-03-11 EP disclosed
EP-1879198-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING SAME, AND FUEL CELL Shin-Etsu Chemical Company, Ltd. (JP) 2008-01-16 EP disclosed