SCHEMBL13610043

SCHEMBL13610043

C=CC(=O)OCCN(C)c1nc(NCCCOC)c(N=Nc2nn(-c3ncccn3)cc2C#N)c(C)c1C#N

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
SCHEMBL14506739 0.87 — —
SCHEMBL13610050 0.80 — —
SCHEMBL13610035 0.76 AR (0.34) —
SCHEMBL13925547 0.76 KDM4E (0.33) —
SCHEMBL11974217 0.76 KDM4E (0.37) —
SCHEMBL13610037 0.72 CA12 (0.31) —
SCHEMBL13610076 0.72 — —
SCHEMBL13310898 0.71 JAK2 (0.33) —
SCHEMBL13925668 0.70 KDM4E (0.32) —
SCHEMBL13610053 0.70 — —

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-7622521-B2 Colored curable composition, color filter and method of producing thereof FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
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