SCHEMBL366057

SCHEMBL366057

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.33
CA2 P00918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
Sulfuric Acid SCHEMBL62246 0.93 CA2 (0.33) KCNH2CA2SMN1; SMN2
Sulfuric Acid SCHEMBL5983597 0.90 CA2 (0.34) KCNH2CA2SMN1; SMN2FFAR1FFAR4
SCHEMBL193629 0.88 CA2 (0.33) KCNH2CA2SMN1; SMN2FFAR1FFAR4
Sulfuric Acid SCHEMBL2554779 0.87 KCNH2 (0.39) KCNH2CA2
SCHEMBL15941624 0.86 KCNH2 (0.31) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL20157 0.86 KCNH2 (0.47) KCNH2CA2SMN1; SMN2FFAR1FFAR4
SCHEMBL1971962 0.85
SCHEMBL61178 0.84 FUT7 (0.33) KCNH2CA2SMN1; SMN2
SCHEMBL107551 0.83 HRH3 (0.34) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL2230283 0.82 KCNH2 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964572-A1 GRAPHENE-BASED FILMS Monash University (AU) 2016-01-13 EP disclosed
WO-2014134663-A1 GRAPHENE-BASED FILMS MONASH UNIVERSITY (AU) 2014-09-12 WO disclosed
EP-2593403-A1 MATERIAL AND APPLICATIONS THEREFOR Monash University (AU) 2013-05-22 EP disclosed
WO-2012006657-A1 MATERIAL AND APPLICATIONS THEREFOR MONASH UNIVERSITY (AU) 2012-01-19 WO disclosed