SCHEMBL10194334

SCHEMBL10194334

[C-]#[N+]c1cnn(-c2nnc(C)s2)c1N=Nc1c(C)nn(-c2nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4nnc(C)s4)c3N)[nH]c(=O)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
SCHEMBL10194322 0.89
SCHEMBL10194295 0.86 SMN1; SMN2 (0.38)
SCHEMBL10194325 0.85 NPC1 (0.32)
SCHEMBL10194307 0.84 MAPT (0.38)
SCHEMBL10194321 0.84 NPC1 (0.38)
SCHEMBL12432083 0.76 KMT2A (0.35)
SCHEMBL10194324 0.76 SMN1; SMN2 (0.34)
SCHEMBL1613519 0.75 SMN1; SMN2 (0.44)
SCHEMBL10194323 0.74 NPC1 (0.40)
SCHEMBL10194315 0.74 MAPT (0.40)

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-8118885-B2 Azo pigments, process for producing the azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the pigment FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed
US-20110030583-A1 AZO PIGMENTS, PROCESS FOR PRODUCING THE AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE PIGMENT FUJIFILM COPORATION (JP) 2011-02-10 US disclosed