SCHEMBL17484385

SCHEMBL17484385

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL17484361 0.96 S1PR1 (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484388 0.94 S1PR1 (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484384 0.90 S1PR1 (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484360 0.87 POLB (0.38) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17484358 0.87 POLB (0.38) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17484382 0.87 S1PR1 (0.34) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484195 0.85 S1PR1 (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484362 0.85 POLB (0.35) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17484359 0.85 POLB (0.35) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17484381 0.84 TSHR (0.35) S1PR1S1PR3POLBAPEX1HTT

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