Acrylamide

Acrylamide

SCHEMBL7754566

C=CC(N)=O.O=P(O)(O)OF

nearest known ligand 0.55

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
FGFR4 P22455 1/20 0.55
CA4 P22748 1/20 0.40
TPI1 P60174 1/20 0.32
PEPD P12955 1/20 0.31
FDPS P14324 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 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
Pyrophosphoric Acid SCHEMBL28251541 0.82 ALDH1A1 (0.58) ALDH1A1TSHRFGFR4CA4PEPD
Acrylamide SCHEMBL7754556 0.81 ALDH1A1 (0.65) ALDH1A1TSHRFGFR4CA4LMNA
SCHEMBL7754609 0.81
Acrylamide SCHEMBL29092492 0.81 ALDH1A1 (0.73) ALDH1A1TSHRFGFR4CA4TDP1
Acrylamide SCHEMBL28918491 0.81 ALDH1A1 (0.73) ALDH1A1TSHRFGFR4CA4TDP1
Urea SCHEMBL28113656 0.81 CA4 (0.50) ALDH1A1CA4TPI1PEPDFDPS
Acrylamide SCHEMBL16402988 0.81 ALDH1A1 (0.73) ALDH1A1TSHRFGFR4CA4TDP1
Acrylamide SCHEMBL2160931 0.81 ALDH1A1 (0.73) ALDH1A1TSHRFGFR4CA4TDP1
Phosphoric Acid Monomethyl Ester SCHEMBL28082492 0.80 ALDH1A1 (0.55) ALDH1A1TSHRFGFR4CA4PEPD
Acrylamide SCHEMBL5807989 0.78 ALDH1A1 (0.69) ALDH1A1TSHRFGFR4CA4LMNA

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-2001043710-A1 MONOFLUORO PHOSPHORYLATED MACROMOLECULES UNILEVER N.V. (NL) 2001-06-21 WO disclosed