SCHEMBL17484444

SCHEMBL17484444

C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(CCC(CO)CO)cc3CC)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 6/20 0.33
FFAR4 Q5NUL3 6/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PTGES O14684 1/20 0.31
THRB P10828 1/20 0.31
MAOB P27338 2/20 0.31
ACACB O00763 1/20 0.31
MAOA P21397 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
SCHEMBL17484446 0.95 RARB (0.40) RARBRARAPOLBAPEX1HTT
SCHEMBL17484390 0.93 POLB (0.37) POLBAPEX1HTTTDP1FFAR1
SCHEMBL17484437 0.90 RARB (0.36) RARBRARAPOLBAPEX1HTT
SCHEMBL17484445 0.90 RARB (0.42) RARBRARAPOLBAPEX1HTT
SCHEMBL17484387 0.89 POLB (0.41) POLBAPEX1HTTTDP1FFAR1
SCHEMBL17484356 0.88 RARB (0.43) RARBRARAPOLBAPEX1HTT
SCHEMBL17484391 0.88 POLB (0.38) RARBRARAPOLBAPEX1HTT
SCHEMBL17484436 0.87 RARB (0.36) RARBRARAPOLBAPEX1HTT
SCHEMBL17484438 0.86 S1PR1 (0.40) RARBRARAPOLBAPEX1HTT
SCHEMBL17484404 0.85 TSHR (0.34) RARBPOLBAPEX1HTTTDP1

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