Acetonitrile

Acetonitrile

SCHEMBL28358952

CC#N.CO.COC(C)(C)C

nearest known ligand 0.53

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53

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 SCHEMBL2675205 0.93 ALDH1A1 (0.61) ALDH1A1
Acetonitrile SCHEMBL19552198 0.93 ALDH1A1 (0.61) ALDH1A1
Acetonitrile SCHEMBL1109948 0.93
Acetonitrile SCHEMBL28397723 0.87 ALDH1A1 (0.53) ALDH1A1
Methyl Alcohol SCHEMBL15124588 0.86
Methyl Alcohol SCHEMBL1151710 0.82
Acetonitrile SCHEMBL27703417 0.79 ALDH1A1 (0.30) ALDH1A1
Water SCHEMBL10335432 0.78
Water SCHEMBL27670184 0.78 ALDH1A1 (0.89) ALDH1A1
Water SCHEMBL2652847 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642912-B Method for refining perilla sterol 贵州侗乡生态农业科技发展有限公司 2022-04-29 CN disclosed
CN-110642912-A Method for refining perilla sterol 贵州侗乡生态农业科技发展有限公司 2020-01-03 CN disclosed