SCHEMBL1967360

SCHEMBL1967360

CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.CCC[N+](C)(CCC)CCC.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.35
LSS P48449 1/20 0.31
DNM1 Q05193 1/20 0.31

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
Tributylmethylammonium SCHEMBL4299224 0.83 SLC22A1 (0.41) SLC22A1LSSDNM1
SCHEMBL4306166 0.82 DNM1 (0.39) SLC22A1LSSDNM1
SCHEMBL144694 0.80 SLC22A1 (0.50) SLC22A1LSSDNM1
Tetrapropylammonium SCHEMBL11636486 0.79 SLC22A1 (0.62) SLC22A1LSSDNM1
Tetrapropylammonium SCHEMBL1470383 0.79 SLC22A1 (0.62) SLC22A1LSSDNM1
Tetrapropylammonium SCHEMBL10770144 0.79 SLC22A1 (0.62) SLC22A1LSSDNM1
Fluoride Ion SCHEMBL4615667 0.77 SLC22A1 (0.47) SLC22A1LSSDNM1
Hydrochloric Acid SCHEMBL240453 0.77 SLC22A1 (0.47) SLC22A1LSSDNM1
Iodide SCHEMBL237492 0.77 SLC22A1 (0.47) SLC22A1LSSDNM1
Water SCHEMBL150200 0.77 SLC22A1 (0.47) SLC22A1LSSDNM1

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
EP-1505057-B1 METHOD OF PURIFYING QUATERNARY ALKYLAMMONIUM SALT STELLA CHEMIFA KABUSHIKI KAISHA (JP) 2011-06-22 EP claimed