SCHEMBL17484455

SCHEMBL17484455

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCCO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP4A11 Q02928 5/20 0.39
CYP4F2 P78329 4/20 0.39
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PPARA Q07869 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.33
NAAA Q02083 1/20 0.33
PPARG P37231 1/20 0.33
AKT1 P31749 1/20 0.32
RARB P10826 1/20 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
SCHEMBL17070466 0.97 TSHR (0.38) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17484392 0.95 TSHR (0.40) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17484454 0.94 RARB (0.36) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17070459 0.94 TNKS2 (0.37) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17070464 0.92 TSHR (0.38) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17070449 0.90 TSHR (0.35) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL21984950 0.90 THRB (0.36) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17070454 0.89 TSHR (0.36) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17484405 0.89 RARB (0.36) TSHRCYP4A11CYP4F2THRBPOLB
SCHEMBL17484448 0.89 RARB (0.39) TSHRCYP4A11CYP4F2THRBPOLB

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