SCHEMBL4594484

SCHEMBL4594484

CC(C)=NOCc1nc2c(N)nc3ccccc3c2n1CCCN(C(N)=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.47
TLR8 Q9NR97 6/20 0.45
NUDT1 P36639 1/20 0.43

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
SCHEMBL4594183 0.95 TLR8 (0.46) TLR7TLR8NUDT1
SCHEMBL1490780 0.84 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL1490813 0.83 TLR7 (0.60) TLR7TLR8NUDT1
SCHEMBL3872419 0.83 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL1490411 0.82 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL4080325 0.82 TLR8 (0.54) TLR7TLR8NUDT1
SCHEMBL1490891 0.81 TLR8 (0.59) TLR7TLR8NUDT1
Trifluoroacetic Acid SCHEMBL1490479 0.80 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL1490872 0.80 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL1490819 0.80 TLR7 (0.68) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed