SCHEMBL28066982

SCHEMBL28066982

CC(N)COCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.34
APP P05067 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
SCHEMBL3141634 0.95
SCHEMBL3137828 0.95
SCHEMBL14872240 0.95
Di(Hydroxyethyl)Ether SCHEMBL16594863 0.93 TSHR (0.50) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL14054643 0.93 TSHR (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12695269 0.87 ALDH1A1 (0.37) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL12269417 0.87 ALDH1A1 (0.37) MEN1KMT2ATSHRMAPK1ALDH1A1
Water SCHEMBL28694307 0.85 ALDH1A1 (0.35) TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL27780644 0.85 TSHR (0.36) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL194541 0.84 ALDH1A1 (0.39) TSHRMAPK1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593264-A Epoxy liquid curing agent compositions AIR PROD & CHEM 2016-05-18 CN claimed
CN-112625230-A Reactive epoxy compound, core-shell epoxy resin particle, aqueous epoxy resin composition, and coating composition 长春人造树脂厂股份有限公司 2021-04-09 CN disclosed
CN-109400862-B Reactive epoxy compound, method for producing same, core-shell epoxy resin particle, aqueous epoxy resin composition, and coating composition 长春人造树脂厂股份有限公司 2021-01-08 CN disclosed
CN-105593264-A Epoxy liquid curing agent compositions AIR PROD & CHEM 2016-05-18 CN disclosed