SCHEMBL14071653

SCHEMBL14071653

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCSc3nc(Nc4cc(S(=O)(=O)O)cc5cc(SOOO)c(/N=N/c6ccc7ccccc7c6S(=O)(=O)O)c(O)c45)nc(SCCNc4nc(Cl)nc(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)n4)n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.45

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
SCHEMBL14071654 0.99 FUT8 (0.45) FUT8
SCHEMBL14071667 0.97 FUT8 (0.43) FUT8
SCHEMBL14071656 0.91 FUT8 (0.45) FUT8
SCHEMBL14071617 0.91 FUT8 (0.48) FUT8
SCHEMBL14071655 0.90 FUT8 (0.44) FUT8
SCHEMBL13949168 0.89 FUT8 (0.41) FUT8
SCHEMBL14585721 0.87 FUT8 (0.49) FUT8
SCHEMBL13599478 0.87 FUT8 (0.49) FUT8
SCHEMBL13538879 0.86 FUT8 (0.53) FUT8
SCHEMBL12136688 0.85 FUT8 (0.50) FUT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080216256-A1 Heterobifunctional reactive dyes comprising a cysteamine linking group NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-11 — — US disclosed
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