SCHEMBL3645559

SCHEMBL3645559

CCCCCCCCCCCCCCCCCCc1[nH]cc[n+]1C.O=S(=O)([O-])C(F)(F)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.43
ACHE P22303 4/20 0.32
FUT7 Q11130 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL3646933 1.00 KCNH2 (0.43) KCNH2ACHEFUT7GPR84
SCHEMBL3646751 1.00 KCNH2 (0.43) KCNH2ACHEFUT7GPR84
SCHEMBL535811 1.00 KCNH2 (0.43) KCNH2ACHEFUT7GPR84
SCHEMBL4245942 1.00 KCNH2 (0.43) KCNH2ACHEFUT7GPR84
SCHEMBL3646245 1.00 KCNH2 (0.43) KCNH2ACHEFUT7GPR84
SCHEMBL535597 0.95 KCNH2 (0.37) KCNH2
SCHEMBL3331761 0.94 KCNH2 (0.40) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL1526487 0.89 KCNH2 (0.54) KCNH2ACHEFUT7GPR84
Trifluoromethanesulfonic Acid SCHEMBL5186137 0.89 KCNH2 (0.54) KCNH2ACHEFUT7GPR84
Trifluoromethanesulfonic Acid SCHEMBL1768353 0.89 KCNH2 (0.54) KCNH2ACHEFUT7GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205545-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. du Pont de Nemours and Company (US) 2010-07-14 EP claimed
EP-2185494-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. du Pont de Nemours and Company (US) 2010-05-19 EP claimed
EP-2185495-A2 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E. I. du Pont de Nemours and Company (US) 2010-05-19 EP claimed
WO-2009032959-A2 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO claimed
WO-2009032962-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO claimed
WO-2009032961-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO claimed
EP-2205545-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. du Pont de Nemours and Company (US) 2010-07-14 EP disclosed
EP-2185495-A2 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E. I. du Pont de Nemours and Company (US) 2010-05-19 EP disclosed
EP-2185494-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. du Pont de Nemours and Company (US) 2010-05-19 EP disclosed
WO-2009032959-A2 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO disclosed
WO-2009032961-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO disclosed
WO-2009032962-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO disclosed