SCHEMBL17484382

SCHEMBL17484382

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 4/20 0.33
RARB P10826 1/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL17484460 0.96 S1PR1 (0.35) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484195 0.94 S1PR1 (0.35) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484381 0.94 TSHR (0.35) S1PR1S1PR3TSHRPOLBAPEX1
SCHEMBL17484440 0.94 S1PR1 (0.35) S1PR1S1PR3RARBTSHRTHRB
SCHEMBL17484457 0.94 RARB (0.34) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484378 0.93 S1PR1 (0.38) S1PR1S1PR3RARBPOLBAPEX1
SCHEMBL17484353 0.91 S1PR1 (0.36) S1PR1S1PR3RARBTSHRTHRB
SCHEMBL17484201 0.90 S1PR1 (0.37) S1PR1S1PR3RARBTHRB
SCHEMBL17484352 0.90 S1PR1 (0.35) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484199 0.89 S1PR1 (0.33) S1PR1S1PR3RARBTSHRPOLB

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