SCHEMBL17484448

SCHEMBL17484448

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
THRB P10828 2/20 0.34
TSHR P16473 2/20 0.34
CYP4A11 Q02928 2/20 0.33
CYP4F2 P78329 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM1A O60341 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
MPL P40238 1/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL17484447 0.96 RARB (0.39) RARBRARARARGTHRBTSHR
SCHEMBL17484454 0.93 RARB (0.36) RARBTHRBTSHRCYP4A11CYP4F2
SCHEMBL17484356 0.92 RARB (0.43) RARBRARARARGPOLBAPEX1
SCHEMBL17070449 0.90 TSHR (0.35) RARBRARARARGTHRBTSHR
SCHEMBL17484437 0.90 RARB (0.36) RARBRARARARGTHRBTSHR
SCHEMBL17484436 0.90 RARB (0.36) RARBRARARARGTHRBTSHR
SCHEMBL17484405 0.89 RARB (0.36) RARBTHRBTSHRCYP4A11CYP4F2
SCHEMBL17484414 0.89 TSHR (0.37) RARBTHRBTSHRCYP4A11CYP4F2
SCHEMBL17484455 0.89 TSHR (0.40) RARBTHRBTSHRCYP4A11CYP4F2
SCHEMBL17484440 0.88 S1PR1 (0.35) RARBRARARARGTHRBTSHR

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