SCHEMBL17484352

SCHEMBL17484352

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.35
S1PR3 Q99500 4/20 0.35
RARB P10826 1/20 0.34
TSHR P16473 2/20 0.33
TNNC1 P63316 5/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR5 Q9H228 1/20 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
THRA P10827 1/20 0.30
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
SCHEMBL17484197 0.98 TSHR (0.34) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484457 0.96 RARB (0.34) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484353 0.96 S1PR1 (0.36) S1PR1S1PR3RARBTSHRTNNC1
SCHEMBL17484460 0.94 S1PR1 (0.35) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484195 0.92 S1PR1 (0.35) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484382 0.90 S1PR1 (0.34) S1PR1S1PR3RARBTSHRPOLB
SCHEMBL17484354 0.90 TSHR (0.39) S1PR1S1PR3TSHRTNNC1SGPL1
SCHEMBL17484458 0.90 S1PR1 (0.38) S1PR1S1PR3RARBS1PR4S1PR5
SCHEMBL17484201 0.88 S1PR1 (0.37) S1PR1S1PR3RARBTHRB
SCHEMBL17484384 0.87 S1PR1 (0.40) S1PR1S1PR3TSHRPOLBAPEX1

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