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Sugi Predict / Compounds / SCHEMBL4643483

SCHEMBL4643483

SCHEMBL4643483

Cc1ccccc1[I+]c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.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 2)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 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
Trifluoromethanesulfonic Acid SCHEMBL4644148 0.90 HTT (0.35) HTTSMN1; SMN2
SCHEMBL4643827 0.90 SOS1 (0.33) HTTSMN1; SMN2
SCHEMBL4643684 0.88 SOS1 (0.32) HTTSMN1; SMN2
SCHEMBL4643809 0.88 — —
SCHEMBL6023248 0.88 CA1 (0.31) —
SCHEMBL4647570 0.86 HTT (0.31) HTTSMN1; SMN2
SCHEMBL4641864 0.86 — —
SCHEMBL5439943 0.85 SOS1 (0.37) HTTSMN1; SMN2
SCHEMBL4641860 0.84 HTT (0.35) HTTSMN1; SMN2
SCHEMBL5432693 0.84 SOS1 (0.36) HTTSMN1; SMN2

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