SCHEMBL14944772

SCHEMBL14944772

C=C(C)C(=O)OCCOC(=O)C1CC(C(=O)OCCOC(=O)C(=C)C)C(C(=O)OCCOC(=O)C(=C)C)CC1C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.47
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX1 P07099 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
SCHEMBL16865185 0.91 THRB (0.50) THRBTSHRALDH1A1CA1CA2
SCHEMBL208911 0.89 THRB (0.52) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040737 0.86 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040880 0.86 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL10040879 0.86 THRB (0.46) THRBTSHRALDH1A1CA1CA2
SCHEMBL18351239 0.85 THRB (0.45) THRBTSHRALDH1A1CA1CA2
SCHEMBL17531129 0.84 THRB (0.44) THRBTSHRALDH1A1CA1CA2
SCHEMBL22131529 0.84 THRB (0.44) THRBTSHRALDH1A1CA1CA2
SCHEMBL75023 0.83 THRB (0.46) THRBTSHRALDH1A1CA1CA2
SCHEMBL14473517 0.83 THRB (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed