SCHEMBL17070447

SCHEMBL17070447

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(CCC(CO)CO)cc3CC)c(CCOC(=O)C(=C)C)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.30
HSD17B1 P14061 2/20 0.30
AGTR2 P50052 1/20 0.30
ACHE P22303 1/20 0.30
RARB P10826 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
SCHEMBL17070445 0.96 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070460 0.94 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484379 0.91 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484437 0.91 RARB (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070448 0.91 TSHR (0.31) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070463 0.91 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070399 0.89 TSHR (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070449 0.89 TSHR (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20412537 0.87 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070451 0.87 PTAFR (0.32) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11150518-B2 Liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-10-19 US disclosed
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-20200073180-A1 LIQUID CRYSTAL DISPLAY DEVICE SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2020-03-05 US 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