SCHEMBL17484358

SCHEMBL17484358

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(CCCO)cc2CC)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.37
CYP4A11 Q02928 2/20 0.36
S1PR1 P21453 1/20 0.36
CYP4F2 P78329 1/20 0.36
THRB P10828 1/20 0.35
CA2 P00918 3/20 0.35
BCHE P06276 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL17484360 0.96 POLB (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484359 0.89 POLB (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484362 0.89 POLB (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484385 0.87 S1PR1 (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484361 0.87 S1PR1 (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484384 0.86 S1PR1 (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484388 0.86 S1PR1 (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484357 0.86 PPARA (0.36) CYP4A11S1PR1CYP4F2THRBCA2
SCHEMBL17484454 0.85 RARB (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL17484414 0.83 TSHR (0.37) POLBAPEX1HTTTDP1TSHR

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