Acrylamide

Acrylamide

SCHEMBL29102420

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

nearest known ligand 0.38

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
ALDH1A1 P00352 2/20 0.38
FGFR4 P22455 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
HPGD P15428 1/20 0.34
ABCB1 P08183 1/20 0.34
BIRC2 Q13490 1/20 0.33
CA14 Q9ULX7 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA7 P43166 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
Ammonia Solution, Strong SCHEMBL27745313 0.85 CA1 (0.47) TSHRALDH1A1CA1CA2HSD17B10
SCHEMBL184608 0.83
SCHEMBL15314124 0.83
SCHEMBL18125220 0.83
Acrylamide SCHEMBL28832236 0.81 TSHR (0.37) TSHRALDH1A1FGFR4CA1CA2
Acrylamide SCHEMBL28082496 0.79 TSHR (0.38) TSHRALDH1A1FGFR4CA1CA2
SCHEMBL31443210 0.79 TDP1 (0.41) TSHRALDH1A1CA1CA2HSD17B10
Acrylamide SCHEMBL28082707 0.78 TSHR (0.37) TSHRALDH1A1FGFR4CA1CA2
Acrylamide SCHEMBL28082433 0.78 TSHR (0.37) TSHRALDH1A1FGFR4CA1CA2
Acrylamide SCHEMBL28082734 0.78 TSHR (0.37) TSHRALDH1A1FGFR4CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024774-A Polyelectrolyte gel, preparation method and application thereof 清华大学 2023-11-10 CN claimed
CN-117024774-A Polyelectrolyte gel, preparation method and application thereof 清华大学 2023-11-10 CN disclosed