Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL11276113

C=C(C)C(=O)OC.C=CC(=O)O.C=CC(=O)OCC.C=CC(=O)OCCCC.C=CN1CCCC1=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
PRKCA P17252 2/20 0.31
ATM Q13315 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
SCHEMBL11674208 0.85 TSHR (0.58) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL6129067 0.83 TSHR (0.52) TSHRHPGDHCAR2PRKCA
SCHEMBL10598332 0.82 TSHR (0.49) TSHRHPGDALDH1A1PRKCAATM
SCHEMBL7906143 0.82 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4
Acrylic Acid Methyl Ester SCHEMBL7937158 0.81 ALDH1A1 (0.40) TSHRHPGDHCAR2ALDH1A1CYP3A4
SCHEMBL2196152 0.80 TSHR (0.51) TSHRHPGDHCAR2ALDH1A1CYP3A4
SCHEMBL8734435 0.80 TSHR (0.55) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL5819737 0.80 TSHR (0.65) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL251480 0.80 ALDH1A1 (0.37) TSHRHPGDALDH1A1CYP3A4
Acrylic Acid SCHEMBL28261666 0.80 TSHR (0.65) TSHRHPGDHCAR2ALDH1A1CYP3A4

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
US-4328284-A APPLYING A LAYER OF LATEX AND PIGMENTS, DRYING, AND HEATING BASF AKTIENGESELLSCHAFT, A CORP. OF GERMANY (DE) 1982-05-04 US disclosed