SCHEMBL17360707

SCHEMBL17360707

CN(C)CCC(C)(O)CN

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.33
HTR2A P28223 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2496131 0.73
SCHEMBL15647999 0.72 TDP1 (0.41) LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL9938107 0.71
SCHEMBL5623410 0.70
Hydrochloric Acid SCHEMBL11197458 0.70 ALDH1A1 (0.35) LMNAALDH1A1CYP2D6
SCHEMBL5731922 0.70
SCHEMBL7156819 0.70
SCHEMBL12146492 0.70
Dimethylaminoethanol SCHEMBL8008957 0.70 MAPT (0.60) MAPTHTR2AHTR1ADRD2HTR7
SCHEMBL3266080 0.70 DNM1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153187-A Three-dimension object precursor agent composition 花王株式会社 2019-01-04 CN claimed
EP-2960319-B1 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM AFTON CHEMICAL CORP (US) 2019-03-13 EP disclosed
CN-105316049-B The solvable quaternary ammonium carboxylate of alkyl and the fuel composition containing them 雅富顿化学公司 2018-06-15 CN disclosed
US-9677020-B2 Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them AFTON CHEMICAL CORPORATION (US) 2017-06-13 US disclosed
US-20150376524-A1 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM AFTON CHEMICAL CORPORATION 2015-12-31 US disclosed
EP-2960319-A2 HYDROCARBYL SOLUBLE QUATERNARY AMMONIUM CARBOXYLATES AND FUEL COMPOSITIONS CONTAINING THEM Afton Chemical Corporation (US) 2015-12-30 EP disclosed