SCHEMBL17070528

SCHEMBL17070528

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3cc(CCCOC(=O)C(=C)C)c(OCCC(CO)(CO)CCC)c(CCCOC(=O)C(=C)C)c3)c(CC)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
IDO1 P14902 1/20 0.31
S1PR1 P21453 5/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
S1PR3 Q99500 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
SCHEMBL17070473 0.98 THRA (0.35) TSHRS1PR1THRATHRBS1PR3
SCHEMBL21115795 0.97 THRA (0.37) TSHRS1PR1THRATHRBS1PR3
SCHEMBL18645732 0.97 THRA (0.36) TSHRS1PR1THRATHRBS1PR3
SCHEMBL21115553 0.96 THRA (0.35) TSHRS1PR1THRATHRBS1PR3
SCHEMBL17070530 0.96 TSHR (0.33) TSHRIDO1S1PR1POLBAPEX1
SCHEMBL22540579 0.94 THRA (0.35) TSHRS1PR1THRATHRBS1PR3
SCHEMBL17070471 0.94 THRA (0.35) TSHRS1PR1THRATHRBS1PR3
SCHEMBL17070526 0.94 POLB (0.31) TSHRIDO1S1PR1POLBAPEX1
SCHEMBL21115965 0.94 THRA (0.37) TSHRS1PR1THRATHRBS1PR3
SCHEMBL18645734 0.93 THRA (0.36) TSHRS1PR1THRATHRBS1PR3

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 8 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
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
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