SCHEMBL13435137

SCHEMBL13435137

C=CC(=O)OCC(CC)(COCC(COC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.64
ALDH1A1 P00352 4/20 0.51
TP53 P04637 3/20 0.51
HIF1A Q16665 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL19659608 0.98 THRB (0.66) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14475296 0.93 ALDH1A1 (0.58) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL21776081 0.93 ALDH1A1 (0.58) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15082554 0.93 THRB (0.72) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14764557 0.93 THRB (0.62) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL39816 0.92 THRB (0.74) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL23169982 0.90 THRB (0.56) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL12777842 0.88 ALDH1A1 (0.64) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL22108772 0.87 ALDH1A1 (0.71) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL21776175 0.87 ALDH1A1 (0.71) THRBALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574454-B2 Patternable liquid crystal polymer comprising thio-ether units ROLIC AG (CH) 2013-11-05 US disclosed
US-20100059709-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2010-03-11 US disclosed