SCHEMBL10032958

SCHEMBL10032958

O=C(O)c1cc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)cc(Nc4nc(Nc5ccc(Nc6nc(Nc7cc(S(=O)(=O)O)cc8cc(SOOO)c(N=Nc9cc(C(=O)O)cc(C(=O)O)c9)c(O)c78)nc(N(CCO)CCO)n6)cc5)nc(N(CCO)CCO)n4)c3c2O)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ ENPP2 Q13822 1/20 0.37

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
SCHEMBL10032952 0.89 FUT8 (0.45) FUT8ENPP2
SCHEMBL10032953 0.89 FUT8 (0.45) FUT8ENPP2
SCHEMBL10032951 0.87 ENPP2 (0.43) FUT8ENPP2
SCHEMBL10032945 0.86 FUT8 (0.42) FUT8ENPP2
SCHEMBL10032938 0.86 FUT8 (0.39) FUT8ENPP2
SCHEMBL13839143 0.80 FUT8 (0.51) FUT8ENPP2
SCHEMBL10032943 0.78 FUT8 (0.40) FUT8ENPP2
SCHEMBL14280226 0.77 FUT8 (0.43) FUT8ENPP2
SCHEMBL14280225 0.77 FUT8 (0.35) FUT8ENPP2
SCHEMBL12721291 0.77 PTPN11 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8205980-B2 Liquid composition, ink-jet recording process, ink-jet recording ink set, recording unit, ink cartridge, ink-jet recording apparatus, and ink-jet recording ink CANON KABUSHIKI KAISHA (JP) 2012-06-26 — — US disclosed
US-20080174643-A1 LIQUID COMPOSITION, INK-JET RECORDING PROCESS, INK-JET RECORDING INK SET, RECORDING UNIT, INK CARTRIDGE, INK-JET RECORDING APPARATUS, AND INK-JET RECORDING INK CANON KABUSHIKI KAISHA (JP) 2008-07-24 — — US disclosed
Send feedback