SCHEMBL17070463

SCHEMBL17070463

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCCC(CO)CO)cc3CC)c(CCOC(=O)C(=C)C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 2/20 0.33
THRA P10827 1/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
CTSK P43235 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
SCHEMBL20412537 0.97 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070460 0.96 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070445 0.94 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484379 0.93 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484394 0.92 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484456 0.91 RARB (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070462 0.91 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070447 0.91 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484453 0.89 POLB (0.42) POLBAPEX1HTTTDP1
SCHEMBL17070466 0.89 TSHR (0.38) TSHRPOLBAPEX1HTTTDP1

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