Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7595535

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

nearest known ligand 0.42

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
FAAH O00519 2/20 0.31
NPSR1 Q6W5P4 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
Acrylic Acid Ethyl Ester SCHEMBL2813645 0.88 TSHR (0.53) TSHRHPGDALDH1A1THRBCYP3A4
Acrylic Acid Ethyl Ester SCHEMBL11796049 0.88 ALDH1A1 (0.50) TSHRHPGDALDH1A1THRBCYP3A4
Acrylic Acid Ethyl Ester SCHEMBL3360800 0.88 ALDH1A1 (0.50) TSHRHPGDALDH1A1THRBCYP3A4
Acrylic Acid Ethyl Ester SCHEMBL443509 0.87 ALDH1A1 (0.39) TSHRHPGDALDH1A1THRBALOX15
Acrylic Acid Ethyl Ester SCHEMBL10657106 0.87 TSHR (0.59) TSHRHPGDALDH1A1THRBCYP3A4
Acrylic Acid Ethyl Ester SCHEMBL10814174 0.86 ALDH1A1 (0.48) TSHRHPGDALDH1A1THRBCYP3A4
Methacrylic Acid SCHEMBL7638298 0.86 ALDH1A1 (0.52) TSHRALDH1A1THRBALOX15HSD17B10
Acrylic Acid Ethyl Ester SCHEMBL147655 0.86 ALDH1A1 (0.38) TSHRHPGDALDH1A1THRBALOX15
Acrylic Acid Ethyl Ester SCHEMBL259837 0.86 ALDH1A1 (0.38) TSHRHPGDALDH1A1THRBALOX15
Acrylic Acid Ethyl Ester SCHEMBL146753 0.86 ALDH1A1 (0.38) TSHRHPGDALDH1A1THRBALOX15

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-0835278-A1 WATER-SOLUBLE FILMS ZENECA RESINS BV (NL) 1998-04-15 EP claimed
WO-1997000282-A1 WATER-SOLUBLE FILMS ZENECA RESINS B.V. (NL) 1997-01-03 WO claimed
EP-0942875-B1 SOLUBLE SACHET FOR WATER-BASED COMPOSITIONS SYNGENTA LTD (GB) 2002-12-11 EP disclosed