Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL9050787

C=C(CCOCCOCC)C(=O)O.C=CC(=O)OC

nearest known ligand 0.41

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 2/20 0.37
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.34
EPHX2 P34913 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL30090599 0.88 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30559756 0.88 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30142925 0.88 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29508514 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid Ethyl Ester SCHEMBL30573463 0.85 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL289084 0.85 THRB (0.47) TSHRALDH1A1TP53HIF1ATHRB
SCHEMBL79927 0.85 THRB (0.47) TSHRALDH1A1TP53HIF1ATHRB
Acrylic Acid Methyl Ester SCHEMBL28310777 0.83 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14742736 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL43126 0.82 THRB (0.45) TSHRALDH1A1HSD17B10THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996033247-A1 RADIATION-CURED ADHESIVE FILM HAVING DIFFERENTIAL SURFACE ADHESION ADHESIVES RESEARCH, INC. (US) 1996-10-24 WO claimed