SCHEMBL6709671

SCHEMBL6709671

CCO[Si](CCCN)(OCC)OCC.CO[Si](OC)(OC)C(CCN)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4894996 0.90 SLC6A2 (0.35) HRH1SLC6A2
SCHEMBL37638 0.83 HRH1 (0.50) HRH1HTR2ASLC6A2ALDH1A1
SCHEMBL28128615 0.82 HRH1 (0.48) HRH1HTR2ASLC6A2ALDH1A1
SCHEMBL4324150 0.80 HRH1 (0.47) HRH1HTR2ASLC6A2SLC7A5ALDH1A1
SCHEMBL2367821 0.80 HRH1 (0.53) HRH1HTR2ASLC7A5ALDH1A1
SCHEMBL28848140 0.79 HRH1 (0.47) HRH1HTR2ASLC7A5
SCHEMBL28165162 0.76 HRH1 (0.44) HRH1HTR2ASLC6A2SLC7A5
SCHEMBL28165510 0.75 HRH1 (0.43) HRH1HTR2ASLC6A2SLC7A5
Toluene SCHEMBL1059744 0.74 KIF11 (0.40) HRH1HTR2A
SCHEMBL6293744 0.74 HRH1 (0.39) HRH1HTR2ASLC6A2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002497-A1 ELASTOMERIC COMPOSITIONS COMPRISING VINYL ACETAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 2018-01-04 US disclosed
US-20170321045-A1 ELASTOMERIC COMPOSITIONS COMPRISING VINYL ACETAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 2017-11-09 US disclosed
US-20160237257-A1 ELASTOMERIC COMPOSITIONS COMPRISING IONOMERS EASTMAN CHEMICAL COMPANY (US) 2016-08-18 US disclosed
US-20160237256-A1 ELASTOMERIC COMPOSITIONS COMPRISING VINYL ACETAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 2016-08-18 US disclosed
US-20160237220-A1 PROCESS FOR MAKING ELASTOMERIC COMPOSITIONS COMPRISING VINYL ACETAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 2016-08-18 US disclosed
US-20160237258-A1 PROCESS FOR MAKING ELASTOMERIC COMPOSITIONS COMPRISING IONOMERS EASTMAN CHEMICAL COMPANY (US) 2016-08-18 US disclosed
US-20040034150-A1 Rubber compositions and method for increasing the mooney scorch value UNIROYAL CHEMICAL COMPANY, INC. 2004-02-19 US disclosed
WO-2004007606-A1 RUBBER COMPOSITIONS AND METHODS FOR IMPROVING SCORCH SAFETY AND HYSTERETIC PROPERTIES OF THE COMPOSITIONS UNIROYAL CHEMICAL COMPANY, INC. (US) 2004-01-22 WO disclosed
US-20040014840-A1 Rubber compositions and methods for improving scorch safety and hysteretic properties of the compositions UNIROYAL CHEMICAL COMPANY 2004-01-22 US disclosed
US-20040006163-A1 Rubber compositions having improved scorch safety UNIROYAL CHEMICAL COMPANY 2004-01-08 US disclosed
US-6620875-B2 Silica filler, coupling agent, cure-enhancing polyoxyalkylene oxide and high molecular weight thiuram disulfide; carbon black; ozone and oxidation resistance; tire treads UNIROYAL CHEMICAL COMPANY, INC. 2003-09-16 US disclosed
US-20030119995-A1 Silica filler, coupling agent, cure-enhancing polyoxyalkylene oxide and high molecular weight thiuram disulfide; carbon black; ozone and oxidation resistance; tire treads ADDIVANT USA, LLC 2003-06-26 US disclosed
US-20030119960-A1 Rubber compositions and method for decreasing the tangent delta value UNIROYAL CHEMICAL COMPANY, INC. 2003-06-26 US disclosed