SCHEMBL2029175

SCHEMBL2029175

CCCCCCc1[nH]cc[n+]1C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
GPR84 Q9NQS5 1/20 0.36
CHRM2 P08172 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
CHRM1 P11229 2/20 0.32
ACHE P22303 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ABCB11 O95342 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 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
SCHEMBL6024612 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL379050 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL15287252 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL17317397 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL5186038 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL15287066 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL194361 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL6023619 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL1702472 1.00 KCNH2 (0.36) KCNH2GPR84CHRM2ADRA2AADORA3
SCHEMBL15287326 0.98 KCNH2 (0.33) KCNH2GPR84

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
WO-2014046878-A1 SYNTHETIC LUBRICANT BASESTOCKS AND METHODS OF PREPARATION THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-03-27 WO disclosed
WO-2011075421-A1 POLYETHER-CONTAINING LUBRICANT BASE STOCKS AND PROCESS FOR MAKING EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-06-23 WO disclosed
EP-2247627-A2 DIPHENYLAMINE FUNCTIONALIZATION OF POLY- -OLEFINS ExxonMobil Research and Engineering Company (US) 2010-11-10 EP disclosed
WO-2009108369-A2 DIPHENYLAMINE FUNCTIONALIZATION OF POLY-α-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-09-03 WO disclosed