SCHEMBL28134196

SCHEMBL28134196

CNC1(N)CC(C)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7062454 0.73 ESR1 (0.36) ESR1ESR2
SCHEMBL4413629 0.72 ESR1 (0.45) ESR1ESR2ALDH1A1
SCHEMBL658128 0.72 ESR1 (0.38) ESR1ESR2
SCHEMBL635664 0.72 ESR1 (0.38) ESR1ESR2
SCHEMBL4096134 0.72 ESR1 (0.38) ESR1ESR2
SCHEMBL540773 0.72 ESR1 (0.38) ESR1ESR2
Ammonia Solution, Strong SCHEMBL8948373 0.70 ESR1 (0.37) ESR1ESR2
SCHEMBL27614540 0.67 ESR1 (0.35) ESR1ESR2ALDH1A1
SCHEMBL910279 0.66
SCHEMBL635941 0.65 ESR1 (0.35) ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106460188-B Copper system metal or silver are the Darkening process composition of metal 奥野制药工业株式会社 2018-11-20 CN disclosed
CN-106460188-A Composition for blackening copper-based or silver-based metals 奥野制药工业株式会社 2017-02-22 CN disclosed