Acetonitrile

Acetonitrile

SCHEMBL28154221

CC#N.CCS(=O)(=O)CC

nearest known ligand 0.35

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
Water SCHEMBL28754572 0.84
Propionitrile SCHEMBL28140287 0.83 ALDH1A1 (0.60) ALDH1A1NLRP3
SCHEMBL79143 0.80
SCHEMBL10493368 0.80 KDM4E (0.36)
SCHEMBL2051138 0.80
SCHEMBL28140283 0.78 TSHR (0.53) ALDH1A1NLRP3
Hydrochloric Acid SCHEMBL28143788 0.78 ALDH1A1 (0.37) ALDH1A1NLRP3
Fluoride SCHEMBL28143708 0.78
Cyanide SCHEMBL28141090 0.77
SCHEMBL31134117 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106748988-B A kind of method that supercritical ultrasonics technology synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN claimed
CN-106866514-B A kind of method that Aqueous phase synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN claimed
CN-106866515-B A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2019-05-28 CN claimed
CN-106866515-A A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2017-06-20 CN claimed
CN-106866514-A A kind of method of the Aqueous phase synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-20 CN claimed
CN-106748988-A A kind of method of the supercritical ultrasonics technology synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-05-31 CN claimed
CN-106831551-B A kind of method that ionic liquid method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-09-24 CN disclosed
CN-106748988-B A kind of method that supercritical ultrasonics technology synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN disclosed
CN-106866514-B A kind of method that Aqueous phase synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN disclosed
CN-106866515-B A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2019-05-28 CN disclosed
CN-106518757-B A kind of method that microwave method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-03-19 CN disclosed
CN-106866515-A A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2017-06-20 CN disclosed
CN-106866514-A A kind of method of the Aqueous phase synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-20 CN disclosed
CN-106748988-A A kind of method of the supercritical ultrasonics technology synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-05-31 CN disclosed