SCHEMBL17484409

SCHEMBL17484409

C=C(C)C(=O)OCCCc1ccc(-c2ccc(CCC(CO)CO)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RARB P10826 3/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.33
S1PR1 P21453 2/20 0.33
MMP12 P39900 3/20 0.31
FFAR1 O14842 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MMP13 P45452 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
SCHEMBL17484399 0.88 POLB (0.39) POLBAPEX1HTTTDP1RARB
SCHEMBL17484413 0.87 POLB (0.40) POLBAPEX1HTTTDP1RARB
SCHEMBL17484437 0.86 RARB (0.36) POLBAPEX1HTTTDP1RARB
SCHEMBL17484362 0.84 POLB (0.35) POLBAPEX1HTTTDP1THRB
SCHEMBL18194827 0.83 RARB (0.44) POLBAPEX1HTTTDP1RARB
SCHEMBL22131036 0.82 THRB (0.41) POLBAPEX1HTTTDP1RARB
SCHEMBL17484436 0.82 RARB (0.36) POLBAPEX1HTTTDP1RARB
SCHEMBL22459521 0.82 RARB (0.38) POLBAPEX1HTTTDP1RARB
SCHEMBL19854252 0.81 RARB (0.39) RARBRARARARGTSHRS1PR1
SCHEMBL17484400 0.81 RARB (0.37) RARBRARARARGS1PR1MMP12

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