SCHEMBL17070451

SCHEMBL17070451

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(CCCC(CO)CO)cc3CC)c(OC(=O)C(=C)C)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.32
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MMP2 P08253 2/20 0.30
MMP3 P08254 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
SCHEMBL17070448 0.96 TSHR (0.31) PTAFRTSHRPOLBAPEX1HTT
SCHEMBL17070462 0.94 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070445 0.91 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070457 0.90 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070477 0.90 TSHR (0.34) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL17070450 0.90 TSHR (0.34) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL20412537 0.90 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484436 0.89 RARB (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070447 0.87 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070463 0.87 TSHR (0.34) 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 9 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
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