Acrylic Acid

Acrylic Acid

SCHEMBL28214967

C=CC(=O)O.CCOC(=O)COC

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TRPA1 O75762 1/20 0.40
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
NLRP3 Q96P20 1/20 0.33

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 SCHEMBL28232621 0.86 TSHR (0.46) GAAMGAMSIMGAM2HCAR2
SCHEMBL77241 0.85
SCHEMBL27771447 0.83
SCHEMBL17200952 0.83
Ammonia Solution, Strong SCHEMBL27732609 0.83
SCHEMBL23630444 0.83
SCHEMBL27688223 0.83
Methyl Alcohol SCHEMBL28098311 0.83 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
Acrylic Acid SCHEMBL25406876 0.81 LMNA (0.46) HCAR2ALDH1A1LMNATSHRHSD17B10
Ether SCHEMBL28104980 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1

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-105340037-B dye-sensitized solar cell 株式会社艾迪科 2018-04-27 CN disclosed