SCHEMBL4594183

SCHEMBL4594183

CC(C)=NOCc1nc2c(N)nc3ccccc3c2n1CCN(C(N)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.46
TLR7 Q9NYK1 19/20 0.45
NUDT1 P36639 1/20 0.44

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
SCHEMBL4594484 0.95 TLR7 (0.47) TLR8TLR7NUDT1
SCHEMBL4319396 0.85 TLR7 (0.51) TLR8TLR7
SCHEMBL1490872 0.83 TLR7 (0.49) TLR8TLR7NUDT1
SCHEMBL4080325 0.83 TLR8 (0.54) TLR8TLR7NUDT1
SCHEMBL1490891 0.82 TLR8 (0.59) TLR8TLR7NUDT1
SCHEMBL1490683 0.81 TLR7 (0.61) TLR8TLR7NUDT1
SCHEMBL3867540 0.81 TLR7 (0.51) TLR8TLR7NUDT1
SCHEMBL1490813 0.81 TLR7 (0.60) TLR8TLR7NUDT1
SCHEMBL3872419 0.80 TLR7 (0.52) TLR8TLR7NUDT1
SCHEMBL1490657 0.80 TLR7 (0.47) TLR8TLR7NUDT1

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