SCHEMBL17484384

SCHEMBL17484384

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(CCC(CO)(CO)CCC)cc2CC)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.40
TSHR P16473 2/20 0.34
S1PR3 Q99500 4/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
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
SCHEMBL17484388 0.96 S1PR1 (0.40) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484361 0.94 S1PR1 (0.40) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484385 0.90 S1PR1 (0.40) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484197 0.89 TSHR (0.34) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484352 0.87 S1PR1 (0.35) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484360 0.86 POLB (0.38) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17484358 0.86 POLB (0.38) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL21507741 0.84 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL17484362 0.84 POLB (0.35) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17484359 0.84 POLB (0.35) S1PR1TSHRPOLBAPEX1HTT

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