Acrylic Acid

Acrylic Acid

SCHEMBL29047896

C=CC(=O)O.CCN=C=S

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TRPA1 O75762 6/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.39
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
Ethyl Isothiocyanate SCHEMBL1811949 0.84
Acrylic Acid SCHEMBL28719964 0.80 LMNA (0.46) LMNATSHRALDH1A1ALOX15HSD17B10
Acrylic Acid SCHEMBL5491151 0.80 LMNA (0.46) LMNATSHRALDH1A1ALOX15HSD17B10
Methacrylic Acid SCHEMBL27673792 0.78 NAAA (0.31) TRPA1TSHRCYP3A4MIFNAAA
Acrylic Acid SCHEMBL28415877 0.77
Ethyl Isothiocyanate SCHEMBL8916266 0.76 GLRA1 (0.46) TRPA1NAAAKEAP1NFE2L2
Ethyl Isothiocyanate SCHEMBL287524 0.75
Benzene SCHEMBL28186125 0.73 MIF (0.44) TRPA1TSHRCYP3A4MIFALDH1A1
Ethyl Isothiocyanate SCHEMBL11120171 0.72
Ethyl Isothiocyanate SCHEMBL27916476 0.72

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
CN-113929866-B Modified resin and resin composition 旭化成株式会社 2023-07-07 CN disclosed