Acrylonitrile

Acrylonitrile

SCHEMBL28102740

C=CC#N.CCCCCN

nearest known ligand 0.55

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.55
TSHR P16473 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX1 P07099 1/20 0.55
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
NFKB1 P19838 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
Acrylonitrile SCHEMBL27458497 0.98 DNM1 (0.59) DNM1TSHRALDH1A1MEN1KMT2A
Dodecylamine SCHEMBL9424876 0.98 DNM1 (0.59) DNM1TSHRALDH1A1MEN1KMT2A
Acrylonitrile SCHEMBL28259154 0.85
Acrylonitrile SCHEMBL11475526 0.82
Acetonitrile SCHEMBL5031057 0.79
SCHEMBL27428943 0.79 DNM1 (0.67) DNM1TSHRALDH1A1MEN1KMT2A
Propene SCHEMBL28076336 0.79
Butadiene SCHEMBL3804599 0.79 DNM1 (0.67) DNM1TSHRALDH1A1MEN1KMT2A
Water SCHEMBL28766473 0.79
Water SCHEMBL2490250 0.79

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-104843659-B The technique that hydrazine is removed from hydroxylamine solution 氰特科技股份有限公司 2017-07-21 CN disclosed
CN-105940325-A Colored retroreflective articles 3M创新有限公司 2016-09-14 CN disclosed