Acetonitrile

Acetonitrile

SCHEMBL2132295

CC#N.CC[NH3+].F[B-](F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Acetonitrile SCHEMBL2259244 0.82
Acetonitrile SCHEMBL8467273 0.82
Acetonitrile SCHEMBL15051448 0.82
Ethylamine SCHEMBL457274 0.82
Acetonitrile SCHEMBL586 0.82
Ethylamine SCHEMBL5741393 0.82
Butylamine SCHEMBL23131034 0.81 DNM1 (0.43)
Acetonitrile SCHEMBL18187251 0.78
Acetonitrile SCHEMBL20586623 0.78
Acetonitrile SCHEMBL21250174 0.78

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
US-20120099244-A1 ELECTRODE OF HIGH-DENSITY SUPER CAPACITOR AND METHOD FOR MANUFACTURING SAME AMOGREENTECH CO., LTD. (KR) 2012-04-26 US disclosed