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SCHEMBL4644455

SCHEMBL4644455

Cc1cc(C)c([S+](c2ccc(Oc3ccc([I+]c4ccc(Oc5ccc([S+](c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)cc4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 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
SCHEMBL4645142 0.90 RAPGEF4 (0.31) RAPGEF4
SCHEMBL6024322 0.87 HTT (0.38) —
SCHEMBL4643826 0.87 HTT (0.33) —
SCHEMBL4641419 0.87 MMP1 (0.31) —
SCHEMBL4641392 0.87 HDAC11 (0.31) —
Trifluoromethanesulfonic Acid SCHEMBL4646584 0.85 FFAR4 (0.36) RAPGEF4
SCHEMBL6023025 0.83 HTT (0.43) —
SCHEMBL6024325 0.82 HTT (0.32) —
SCHEMBL4643268 0.81 — —
SCHEMBL4643823 0.81 CA1 (0.37) —

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