SCHEMBL5167409

SCHEMBL5167409

CN(C)CCC[C](N)CCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
HRH4 Q9H3N8 2/20 0.44
CYP1A2 P05177 1/20 0.44
HRH2 P25021 1/20 0.44
HSD17B10 Q99714 1/20 0.43
DNM1 Q05193 3/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PAOX Q6QHF9 1/20 0.34
KDM4A O75164 3/20 0.33
KDM4C Q9H3R0 3/20 0.33
KDM5A P29375 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL177924 0.80
SCHEMBL28082197 0.78
Hydrochloric Acid SCHEMBL21197515 0.78 KDM4A (0.44) ALDH1A1TSHRTDP1HRH4CYP1A2
Hydrochloric Acid SCHEMBL8083602 0.78 KDM4A (0.44) ALDH1A1TSHRTDP1HRH4CYP1A2
SCHEMBL7675048 0.78
SCHEMBL10781612 0.78
Hydrochloric Acid SCHEMBL6991683 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTDP1HRH4CYP1A2
SCHEMBL28685039 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HRH4CYP1A2
SCHEMBL23451837 0.75 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HRH4CYP1A2
SCHEMBL22554391 0.74 CYP2D6 (0.50) ALDH1A1TSHRTDP1HRH4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340769-B Preparation method of organic silicon composition 南京瑞思化学技术有限公司 2023-10-27 CN disclosed
CN-115340769-A Preparation method of organic silicon composition 南京瑞思化学技术有限公司 2022-11-15 CN disclosed
CN-114316610-A Preparation method of organic silicon emulsion 南京瑞思化学技术有限公司 2022-04-12 CN disclosed
EP-3937889-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND AND A MIXTURE OF SILICONES Henkel AG & Co. KGaA (DE) 2022-01-19 EP disclosed
EP-3937891-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A FILM-FORMING POLYMER AND A MIXTURE OF SILICONES Henkel AG & Co. KGaA (DE) 2022-01-19 EP disclosed
WO-2020182474-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND AND A MIXTURE OF SILICONES HENKEL AG & CO. KGAA (DE) 2020-09-17 WO disclosed
WO-2020182476-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A FILM-FORMING POLYMER AND A MIXTURE OF SILICONES HENKEL AG & CO. KGAA (DE) 2020-09-17 WO disclosed
CN-108070259-B Preparation of polysiloxane emulsion 南京瑞思化学技术有限公司 2020-07-14 CN disclosed
CN-110204741-B Method for dispersing polysiloxane in water 南京瑞思化学技术有限公司 2020-01-07 CN disclosed
EP-1773920-A1 METHOD FOR THE PRODUCTION OF EMULSIONS OF HIGHLY-VISCOUS ORGANOPOLYSILOXANES Wacker Chemie AG (DE) 2007-04-18 EP disclosed
WO-2006015740-A1 METHOD FOR THE PRODUCTION OF EMULSIONS OF HIGHLY-VISCOUS ORGANOPOLYSILOXANES WACKER CHEMIE AG (DE) 2006-02-16 WO disclosed