Acrylamide

Acrylamide

SCHEMBL8719075

C=CC(N)=O.C=CC(N)=O.CC(=CCCO)C(=O)O

nearest known ligand 0.42

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
FGFR4 P22455 1/20 0.42
CD81 P60033 2/20 0.34
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.31
PTGS1 P23219 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
Acrylamide SCHEMBL11321196 1.00 ALDH1A1 (0.42) ALDH1A1TSHRFGFR4CD81POLB
Acrylic Acid SCHEMBL2403766 0.88 LMNA (0.42) ALDH1A1TSHRCD81PPARG
SCHEMBL8673613 0.86 CD81 (0.37) ALDH1A1CD81PPARG
SCHEMBL28832685 0.85 CD81 (0.41) CD81PPARGPTGS1
SCHEMBL45793 0.85
SCHEMBL16092 0.85
Allylamine SCHEMBL10984212 0.85 ALDH1A1 (0.35) ALDH1A1CD81PPARG
Acrylamide SCHEMBL28112777 0.84 ALDH1A1 (0.46) ALDH1A1TSHRFGFR4POLBPTGS1
Acetone SCHEMBL8337338 0.83 CD81 (0.40) CD81PPARGPTGS1
Ethylene Glycol SCHEMBL28863335 0.83 CD81 (0.40) CD81PPARGPTGS1

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
WO-1998050782-A2 FIBER OPTIC BIOSENSOR FOR SELECTIVELY DETECTING OLIGONUCLEOTIDE SPECIES IN A MIXED FLUID SAMPLE TRUSTEES OF TUFTS COLLEGE (US) 1998-11-12 WO disclosed