SCHEMBL3705485

SCHEMBL3705485

C=C(C)C(=O)OCCC(OCC)(OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
TSHR P16473 5/20 0.50
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL18401023 0.84 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17922843 0.82 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20135807 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2248762 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20555059 0.80 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28732098 0.80 TSHR (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL5493244 0.80 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4646031 0.79 THRB (0.46) THRBTSHR
SCHEMBL7637389 0.78 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28355274 0.78 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947722-B1 PROCESS FOR PRODUCTION OF FUEL CELL SEPARATORS AND FUEL CELLS COMPRISING SUCH SEPARATORS DAINIPPON INK & CHEMICALS (JP) 2012-05-16 EP disclosed
US-20090098431-A1 METHOD OF PRODUCING FUEL CELL SEPARATOR, AND FUEL CELL DIC CORPORATION (JP) 2009-04-16 US disclosed
EP-1947722-A1 PROCESS FOR PRODUCTION OF FUEL CELL SEPARATORS AND FUEL CELLS DIC Corporation (JP) 2008-07-23 EP disclosed
US-5250376-A Electrophotographic lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1993-10-05 US disclosed