SCHEMBL17484436

SCHEMBL17484436

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
FDFT1 P37268 1/20 0.32
THRB P10828 1/20 0.32
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
SCHEMBL17484437 0.96 RARB (0.36) RARBRARARARGFDFT1THRB
SCHEMBL17484456 0.94 RARB (0.34) RARBTHRBTSHRPOLBAPEX1
SCHEMBL17484446 0.92 RARB (0.40) RARBRARARARGPOLBAPEX1
SCHEMBL17070445 0.91 TSHR (0.32) RARBTHRBTSHRPOLBAPEX1
SCHEMBL17484393 0.90 RARB (0.34) RARBTHRBTSHRPOLBAPEX1
SCHEMBL17484447 0.90 RARB (0.39) RARBRARARARGTHRBTSHR
SCHEMBL17484448 0.90 RARB (0.39) RARBRARARARGTHRBTSHR
SCHEMBL17484404 0.90 TSHR (0.34) RARBTHRBTSHRPOLBAPEX1
SCHEMBL20412537 0.90 TSHR (0.36) THRBTSHRPOLBAPEX1HTT
SCHEMBL17070451 0.89 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 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