SCHEMBL28048465

SCHEMBL28048465

COCCOC.N#CC#N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 SCHEMBL4300315 0.85
Methyl Alcohol SCHEMBL2405349 0.84
Water SCHEMBL127130 0.83
Water SCHEMBL29088662 0.83 TSHR (0.32) TSHRALDH1A1
Water SCHEMBL337744 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL30233580 0.83
Hydrogen Peroxide SCHEMBL6441406 0.79
Water SCHEMBL28326074 0.79
Water SCHEMBL29768404 0.79
Water SCHEMBL28146732 0.79

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-105340073-A Method and device for treating a substrate surface EV GROUP E THALLNER GMBH 2016-02-17 CN disclosed