SCHEMBL643416

SCHEMBL643416

C=CC(=O)OCC(CC)OCCOCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.47
ALDH1A1 P00352 6/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 3/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL554767 0.85 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21629405 0.81 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27662632 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22832151 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8740832 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5483693 0.79 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL19456775 0.78 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL643415 0.78 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26250 0.77 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL537388 0.77 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed