SCHEMBL3393289

SCHEMBL3393289

CCCCc1[nH]cc[n+]1C.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 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
SCHEMBL535088 0.85 KCNH2 (0.35) KCNH2
Hydrochloric Acid SCHEMBL535666 0.84 KCNH2 (0.34) KCNH2
SCHEMBL535591 0.83 KCNH2 (0.36) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL20157 0.81 KCNH2 (0.47) KCNH2
SCHEMBL535817 0.81 KCNH2 (0.36) KCNH2
SCHEMBL535597 0.81 KCNH2 (0.37) KCNH2
SCHEMBL7577768 0.80 KCNH2 (0.36) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL2230283 0.78 KCNH2 (0.44) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL5583311 0.78 KCNH2 (0.52) KCNH2
Sulfuric Acid SCHEMBL5983597 0.77 CA2 (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065606-A2 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed