SCHEMBL14907448

SCHEMBL14907448

C=CC(=O)OCCCCCCc1ccc(C(=O)Oc2ccc(CCc3ccc(OC(=O)c4ccc(CCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.56
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
THRA P10827 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL22451142 0.99 THRB (0.57) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL17364495 0.95 THRB (0.53) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL14000685 0.95 THRB (0.53) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL12090477 0.94 THRB (0.53) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL17279039 0.94 THRB (0.51) THRBALDH1A1TSHRCYP3A4MEN1
SCHEMBL1072168 0.94 THRB (0.51) THRBALDH1A1TSHRCYP3A4MEN1
SCHEMBL13089478 0.94 THRB (0.51) THRBALDH1A1TSHRCYP3A4MEN1
SCHEMBL17773133 0.93 THRB (0.56) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL17146872 0.93 THRB (0.54) THRBALDH1A1TSHRCYP3A4THRA
SCHEMBL25501133 0.92 THRB (0.52) THRBALDH1A1TSHRCYP3A4KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed