SCHEMBL14779178

SCHEMBL14779178

O=S(=O)(OCCCCCCOS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.46
CA1 P00915 16/20 0.46
CA9 Q16790 14/20 0.46
CA12 O43570 5/20 0.46
CA7 P43166 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA3 P07451 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL2735589 1.00 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL8398329 1.00 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL4952312 1.00 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL23291930 1.00 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL575713 0.97 CA2 (0.44) CA2CA1CA9CA12CA7
SCHEMBL576009 0.92 CA2 (0.44) CA2CA1CA9CA12CA7
SCHEMBL902041 0.89 CA1 (0.55) CA2CA1CA9CA12CA7
SCHEMBL20845932 0.89 CA2 (0.38) CA2CA1CA9CA12CA7
SCHEMBL20845966 0.89 CA2 (0.38) CA2CA1CA9CA12CA7
SCHEMBL6427237 0.89 CA1 (0.55) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814325-A1 A RADIOLABELLED COMPOUND OF QUATERNARY AMMONIUM SALT OF A POLYCYCLIC AROMATIC AMINE, THE USE OF THE RADIOLABELLED COMPOUND IN A DIAGNOSTIC METHOD OF POSITRON EMISSION TOMOGRAPHY, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE RADIOLABELLED COMPOUND OF QUATERNARY AMMONIUM SALT OF A POLYCYCLIC AROMATIC AMINE Synektik S.A. (PL) 2021-05-05 EP disclosed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed