SCHEMBL17484201

SCHEMBL17484201

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.37
S1PR3 Q99500 3/20 0.37
RARB P10826 3/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
THRB P10828 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
SCHEMBL17484440 0.97 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL17484460 0.94 S1PR1 (0.35) S1PR1S1PR3RARBTHRB
SCHEMBL17484195 0.94 S1PR1 (0.35) S1PR1S1PR3RARBTHRB
SCHEMBL17484438 0.91 S1PR1 (0.40) S1PR1S1PR3RARBRARA
SCHEMBL17484382 0.90 S1PR1 (0.34) S1PR1S1PR3RARBTHRB
SCHEMBL17484199 0.90 S1PR1 (0.33) S1PR1S1PR3RARBTHRB
SCHEMBL20412542 0.90 S1PR1 (0.42) S1PR1S1PR3RARB
SCHEMBL17484439 0.89 S1PR1 (0.39) S1PR1S1PR3RARBRARARARG
SCHEMBL17484448 0.88 RARB (0.39) S1PR1S1PR3RARBRARARARG
SCHEMBL17484447 0.88 RARB (0.39) S1PR1S1PR3RARBRARARARG

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