Cyclohexane

Cyclohexane

SCHEMBL9580757

C1CCCCC1.CC(C#N)CN=NCC(C)C#N

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39

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
SCHEMBL142610 0.92 TSHR (0.43) TSHR
SCHEMBL6522065 0.92 TSHR (0.43) TSHR
SCHEMBL121 0.92 TSHR (0.43) TSHR
Hydrochloric Acid SCHEMBL9508593 0.89 TSHR (0.42) TSHR
SCHEMBL10454453 0.89 TSHR (0.42) TSHR
SCHEMBL4476401 0.84 TSHR (0.39) TSHR
SCHEMBL3786745 0.82
Alcohol SCHEMBL11052439 0.82 TSHR (0.37) TSHR
SCHEMBL9860811 0.81 TSHR (0.46) TSHR
SCHEMBL9580717 0.81

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-5189094-A Reacting a poly(cyclic iminoether), and ethylenically unsaturated compounds TEIJIN LIMITED (JP) 1993-02-23 US disclosed