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SCHEMBL12377648

SCHEMBL12377648

Nc1c(N=Nc2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)ccc2SOOO)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N\c3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.40
▸ ENPP2 Q13822 2/20 0.39
▸ THRB P10828 1/20 0.34
▸ CHAT P28329 2/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL16551891 0.89 FUT8 (0.48) FUT8ENPP2THRBCHATENPP3
SCHEMBL14372027 0.88 FUT8 (0.49) FUT8ENPP2THRBCHATENPP3
SCHEMBL12053492 0.88 FUT8 (0.44) FUT8ENPP2THRBCHATCA12
SCHEMBL12053491 0.88 FUT8 (0.40) FUT8ENPP2THRBCHATCA12
SCHEMBL13340562 0.87 THRB (0.43) FUT8ENPP2THRBCHATENPP3
SCHEMBL13538878 0.85 FUT8 (0.44) FUT8ENPP2THRBCHAT
SCHEMBL14388914 0.85 FUT8 (0.50) FUT8ENPP2THRBCHATENPP3
SCHEMBL14388943 0.85 FUT8 (0.50) FUT8ENPP2THRBCHATENPP3
SCHEMBL13949157 0.85 FUT8 (0.41) FUT8ENPP2THRBCHATCA12
SCHEMBL13538879 0.84 FUT8 (0.53) FUT8ENPP2THRBCHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003590-B2 Detergent composition comprising reactive dye THE PROCTER & GAMBLE COMPANY (US) 2011-08-23 — — US disclosed
US-7829517-B2 Detergent composition comprising non-ionic detersive surfactant mixture and reactive dye mixture THE PROCTER & GAMBLE COMPANY (US) 2010-11-09 — — US disclosed
US-7745385-B2 Water-soluble pouch comprising a detergent composition THE PROCTER & GAMBLE COMPANY (US) 2010-06-29 — — US disclosed
US-20090253604-A1 Water-Soluble Pouch Comprising a Detergent Composition THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090253606-A1 Detergent Composition Comprising Non-Ionic Detersive Surfactant and Reactive Dye THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090249561-A1 Kit of Parts Comprising a Solid Laundry Detergent Composition and a Dosing Device THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090253607-A1 Detergent Composition Comprising Reactive Dye THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
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