SCHEMBL17070459

SCHEMBL17070459

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCCO)cc3CC)c(OC(=O)C(=C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.37
TSHR P16473 2/20 0.36
CYP4A11 Q02928 3/20 0.35
CYP4F2 P78329 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 2/20 0.34
AKT1 P31749 1/20 0.33
MET P08581 3/20 0.32
THRA P10827 1/20 0.32
PPARA Q07869 1/20 0.32
REN P00797 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PPARG P37231 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
SCHEMBL17070454 0.96 TSHR (0.36) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17484455 0.94 TSHR (0.40) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17070477 0.93 TSHR (0.34) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17070466 0.90 TSHR (0.38) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17070462 0.89 TSHR (0.33) TNKS2TSHRPOLBAPEX1HTT
SCHEMBL17070457 0.89 TSHR (0.33) TNKS2TSHRPOLBAPEX1HTT
SCHEMBL17484392 0.89 TSHR (0.40) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17070450 0.89 TSHR (0.34) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17484454 0.88 RARB (0.36) TNKS2TSHRCYP4A11CYP4F2POLB
SCHEMBL17070464 0.86 TSHR (0.38) TNKS2TSHRCYP4A11CYP4F2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3730590-A1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-2918658-B1 Liquid crystalline media with homeotropic alignment MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-10513657-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-12-24 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-2918658-A2 Liquid crystalline media with homeotropic alignment Merck Patent GmbH (DE) 2015-09-16 EP disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed