SCHEMBL10139526

SCHEMBL10139526

COOSc1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(S(C)(=O)=O)cnn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13239253 0.95 MAPT (0.32) —
SCHEMBL13667261 0.94 — —
SCHEMBL13159225 0.93 — —
SCHEMBL60015 0.90 MAPT (0.35) —
SCHEMBL12084072 0.87 MAPT (0.33) —
SCHEMBL10052076 0.85 MAPT (0.34) —
SCHEMBL4400175 0.84 MAPT (0.34) —
SCHEMBL15233454 0.81 — —
SCHEMBL12998664 0.81 MAPT (0.37) —
SCHEMBL12998657 0.79 MAPT (0.36) —

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-8357235-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-22 — — US disclosed
US-8101011-B2 Mono- and diazo dyes including pyrazol-5-yl rings attached to the azo group; good shades (hues) in the primary colors; colorfastness; photostability; weatherproofing; heat resistance; waterproofing; oxidation/ozone resistance; chemical resistance; storage stability; printing;electrography; displays FUJIFILM CORPORATION (JP) 2012-01-24 — — US disclosed
US-20100242791-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 — — US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 — — US disclosed
US-20100075041-A1 INKJET RECORDING YELLOW INK, INKJET RECORDING INK SET AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-03-25 — — US disclosed
US-20100071588-A1 INKJET RECORDING YELLOW INK, INKJET RECORDING INK SET AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-03-25 — — US disclosed
US-20080274283-A1 Coloring Matter, Ink, Ink, for Ink Jet, Ink Jet Recording Method, Color Toner, and Color Filter FUJIFILM CORPORATION (JP) 2008-11-06 — — US disclosed
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