SCHEMBL28092591

SCHEMBL28092591

CC(C)C#N.CC(C)OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64

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 SCHEMBL1263480 0.81 TSHR (0.38) TSHR
Water SCHEMBL28118224 0.80 TSHR (1.00) TSHR
Water SCHEMBL27509838 0.80
Water SCHEMBL2929026 0.80
Water SCHEMBL2473448 0.80
SCHEMBL14877 0.80
Water SCHEMBL7492545 0.80
SCHEMBL9492341 0.80 TSHR (1.00) TSHR
Thiocyanic Acid SCHEMBL27691422 0.79 CA1 (0.43) TSHR
SCHEMBL4147757 0.76 TSHR (0.90) TSHR

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-103980129-B Acetylenylbenzene amidine compound or its salt, its preparation method and for agricultural and the antibacterial of gardening 日本欧爱特农业科技株式会社 2016-08-31 CN disclosed