Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL15637751

C=CC(=O)OC.C=COS(=O)(=O)CCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 3/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
THRA P10827 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 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
SCHEMBL2489357 0.84 ALDH1A1 (0.41) TSHRHPGDCA12CA14ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28022642 0.81 TSHR (0.47) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL4539381 0.79 FAAH (0.41) TSHRHPGDCA12CA14ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL27260151 0.78 TSHR (0.59) TSHRHPGDTHRBZDHHC20ZDHHC2
Acrylic Acid Methyl Ester SCHEMBL28152760 0.78 TSHR (0.59) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL4022753 0.78 TSHR (0.50) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL29211208 0.77 FAAH (0.45) TSHRCA12CA14CA2CA7
Dodecane SCHEMBL27545684 0.77 TSHR (0.57) TSHRHPGDTHRBZDHHC20ZDHHC2
Acrylic Acid Methyl Ester SCHEMBL27391412 0.77 TSHR (0.57) TSHRHPGDTHRBZDHHC20ZDHHC2
Pentadecane SCHEMBL27502966 0.77 TSHR (0.57) TSHRHPGDTHRBZDHHC20ZDHHC2

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
EP-2906330-A1 COATED ION EXCHANGE MEMBRANES Evoqua Water Technologies LLC (US) 2015-08-19 EP disclosed
EP-2903737-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME Evoqua Water Technologies LLC (US) 2015-08-12 EP disclosed
WO-2014055123-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME EVOQUA WATER TECHNOLOGIES LLC (US) 2014-04-10 WO disclosed