SCHEMBL4644752

SCHEMBL4644752

Cc1ccc([S+](c2ccc(Oc3ccc([I+]c4ccc(Oc5ccc([S+](c6ccc(C)cc6C)c6ccc(C)cc6C)cc5)cc4)cc3)cc2)c2ccc(C)cc2C)c(C)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4647321 0.91
Trifluoromethanesulfonic Acid SCHEMBL4646928 0.90 HTT (0.34) FFAR4HTTTDP1L3MBTL1
SCHEMBL4641860 0.88 HTT (0.35) HTTTDP1L3MBTL1
SCHEMBL4643676 0.88 KCNH2 (0.32)
SCHEMBL4647765 0.88
SCHEMBL4641864 0.88
SCHEMBL4644492 0.88 FFAR4 (0.32) FFAR4
SCHEMBL4647570 0.86 HTT (0.31) HTT
SCHEMBL4644756 0.84
SCHEMBL4643827 0.81 SOS1 (0.33) HTT

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-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed