SCHEMBL8736211

SCHEMBL8736211

CN(C)CC1CO1.ClCCCCl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 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
SCHEMBL8585668 1.00 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCHRM2CHRM4
SCHEMBL12834637 0.85
SCHEMBL933250 0.85
Hydrochloric Acid SCHEMBL551983 0.83
SCHEMBL27915162 0.78 ALDH1A1 (0.37) ALDH1A1TDP1
Propane SCHEMBL28654061 0.78 ALDH1A1 (0.36) ALDH1A1TDP1CHRM2CHRM4CHRM5
1,3-Dichloropropene SCHEMBL27915159 0.75 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL10915972 0.73 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL15301330 0.71 MEN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14534424 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791015-A4 CATIONIC POLYMER PROCTER & GAMBLE (US) 1998-08-26 EP claimed
EP-0791015-A1 CATIONIC POLYMER THE PROCTER & GAMBLE COMPANY (US) 1997-08-27 EP claimed
WO-1996015154-A1 CATIONIC POLYMER THE PROCTER & GAMBLE COMPANY (US) 1996-05-23 WO claimed
CN-107312102-B Modified polysaccharides 玉米产品开发公司 2021-11-23 CN disclosed
EP-0791015-A4 CATIONIC POLYMER PROCTER & GAMBLE (US) 1998-08-26 EP disclosed
EP-0791015-A1 CATIONIC POLYMER THE PROCTER & GAMBLE COMPANY (US) 1997-08-27 EP disclosed
WO-1996015154-A1 CATIONIC POLYMER THE PROCTER & GAMBLE COMPANY (US) 1996-05-23 WO disclosed