SCHEMBL17484456

SCHEMBL17484456

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
MMP2 P08253 2/20 0.30
MMP3 P08254 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL17484393 0.96 RARB (0.34) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484404 0.94 TSHR (0.34) RARBTSHRPOLBAPEX1HTT
SCHEMBL20412537 0.94 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484436 0.94 RARB (0.36) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484391 0.93 POLB (0.38) RARBPOLBAPEX1HTTTDP1
SCHEMBL17070463 0.91 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484379 0.90 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484437 0.90 RARB (0.36) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484394 0.90 TSHR (0.33) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484454 0.89 RARB (0.36) RARBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed