Acetonitrile

Acetonitrile

SCHEMBL28107138

CC#N.CC(C)CC#N.CCC(C)C#N

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44

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
SCHEMBL12347181 0.80
SCHEMBL7708127 0.80
Water SCHEMBL28156980 0.80
SCHEMBL26868 0.80
SCHEMBL9318185 0.77
Hydrochloric Acid SCHEMBL28504380 0.77
Arsenic SCHEMBL28853948 0.77
SCHEMBL28103722 0.77
SCHEMBL11457961 0.77
Ammonia Solution, Strong SCHEMBL28251796 0.77

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
CN-106029836-A Liquid crystal alignment composition, liquid crystal alignment film and liquid crystal display element 罗利克有限公司 2016-10-12 CN disclosed