SCHEMBL4858994

SCHEMBL4858994

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29367826 0.80 ALDH1A1 (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20645731 0.80 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2989767 0.76 TSHR (0.47) TSHRALDH1A1THRBHSD17B10
SCHEMBL472194 0.74 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL31059854 0.74 LMNA (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL31059850 0.74 LMNA (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL27994511 0.74 LMNA (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL29282689 0.74 LMNA (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2533376 0.73 TSHR (0.68) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28873660 0.72 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7328988-B2 Ink composition for inkjet spacer formation and spacer element using the same LG CHEM, LTD. (KR) 2008-02-12 US disclosed
US-20070190429-A1 COMPOSITION FOR INKJET SPACER FORMATION AND SPACER ELEMENT USING THE SAME LG CHEM, LTD. (KR) 2007-08-16 US disclosed
US-20040257416-A1 Ink composition for inkjet spacer fomation and spacer element using the same LG CHEM, LTD. (KR) 2004-12-23 US disclosed
WO-2004065502-A1 INK COMPOSITION FOR INKJET SPACER FORMATION AND SPACER ELEMENT USING THE SAME LG CHEM, LTD. (KR) 2004-08-05 WO disclosed