SCHEMBL17484457

SCHEMBL17484457

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
S1PR1 P21453 6/20 0.33
TSHR P16473 2/20 0.33
S1PR3 Q99500 4/20 0.33
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
SCHEMBL17484352 0.96 S1PR1 (0.35) RARBS1PR1TSHRS1PR3POLB
SCHEMBL17484197 0.95 TSHR (0.34) RARBS1PR1TSHRS1PR3POLB
SCHEMBL17484353 0.94 S1PR1 (0.36) RARBS1PR1TSHRS1PR3THRA
SCHEMBL17484382 0.94 S1PR1 (0.34) RARBS1PR1TSHRS1PR3POLB
SCHEMBL17484458 0.93 S1PR1 (0.38) RARBS1PR1S1PR3POLBAPEX1
SCHEMBL17484460 0.90 S1PR1 (0.35) RARBS1PR1TSHRS1PR3POLB
SCHEMBL17484195 0.88 S1PR1 (0.35) RARBS1PR1TSHRS1PR3POLB
SCHEMBL17484354 0.88 TSHR (0.39) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484381 0.88 TSHR (0.35) S1PR1TSHRS1PR3POLBAPEX1
SCHEMBL17484440 0.88 S1PR1 (0.35) RARBS1PR1TSHRS1PR3THRB

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