Acrylamide

Acrylamide

SCHEMBL9851808

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

nearest known ligand 0.61

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.61
FGFR4 P22455 1/20 0.61
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
Acrylamide SCHEMBL27396969 0.88
Acrylamide SCHEMBL11326871 0.88
D-Lactic Acid SCHEMBL31379959 0.86 TSHR (0.58) TSHRALDH1A1FGFR4TP53LMNA
Lactic Acid SCHEMBL20168813 0.86 TSHR (0.58) TSHRALDH1A1FGFR4TP53LMNA
Acrylic Acid SCHEMBL6928164 0.86 LMNA (0.53) TSHRALDH1A1FGFR4TP53LMNA
Isobutyramide SCHEMBL28805277 0.86 TSHR (0.65) TSHRALDH1A1FGFR4LMNATDP1
Acrylamide SCHEMBL1841293 0.85
Acrylamide SCHEMBL906431 0.84 TSHR (0.55) TSHRALDH1A1FGFR4TP53LMNA
Acrylamide SCHEMBL27891499 0.83 TSHR (0.61) TSHRALDH1A1FGFR4TP53LMNA
Acrylamide SCHEMBL27605475 0.82

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
EP-0413140-A1 Process for production of carboxylic acid esters and formamide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-02-20 EP disclosed