SCHEMBL671792

SCHEMBL671792

C=C(C)C(=O)OCCOC(=O)Oc1cc(OC(=O)OCCOC(=O)C(=C)C)cc(OC(=O)OCCOC(=O)C(=C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.36
ELANE P08246 2/20 0.36
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TTR P02766 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17220439 0.86 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL3561624 0.85 ELANE (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL10885204 0.85 POLB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL29315871 0.83 CA1 (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL20364324 0.83 POLB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL25237883 0.82 POLB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL14944759 0.81 POLB (0.54) THRBTSHRPOLBAPEX1HTT
SCHEMBL5435399 0.80 THRB (0.65) THRBTSHRPOLBAPEX1HTT
SCHEMBL12404362 0.80 THRB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL6290863 0.80 POLB (0.44) THRBTSHRPOLBAPEX1HTT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
EP-2596082-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS Merck Patent GmbH (DE) 2013-05-29 EP disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed