Sugi Predict

Sugi Predict / Compounds / SCHEMBL4644024

SCHEMBL4644024

SCHEMBL4644024

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.c1ccc([S+](c2ccccc2)c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL4643198 0.88 CA12 (0.37) CA12CA1CA2
SCHEMBL4643823 0.88 CA1 (0.37) CA12CA1CA2CA9
SCHEMBL4643765 0.88 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL4641253 0.88 PTGS2 (0.33) CA12CA1CA2CA9
SCHEMBL4641729 0.87 CA12 (0.36) CA12CA1CA2
SCHEMBL4647402 0.87 CA1 (0.36) CA12CA1CA2CA9
SCHEMBL4643178 0.87 CA1 (0.32) CA12CA1CA2CA9
SCHEMBL384538 0.85 CA1 (0.38) CA12CA1CA2
SCHEMBL4641256 0.85 — —
SCHEMBL6023025 0.83 HTT (0.43) CA12CA1CA2

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