SCHEMBL4593400

SCHEMBL4593400

NC(=O)OCCn1c(CCl)nc2c(N)nc3ccccc3c21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.53
TLR7 Q9NYK1 17/20 0.51

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
SCHEMBL4593244 0.89 TLR8 (0.57) TLR8TLR7
SCHEMBL27649971 0.85 TLR7 (0.51) TLR8TLR7
SCHEMBL4080325 0.84 TLR8 (0.54) TLR8TLR7
SCHEMBL1960130 0.81 TLR7 (0.70) TLR8TLR7
SCHEMBL3865842 0.81 TLR7 (0.54) TLR8TLR7
SCHEMBL27649940 0.81 LMNA (0.39) TLR8TLR7
SCHEMBL12003054 0.81 TLR8 (0.68) TLR8TLR7
SCHEMBL29034534 0.81 TLR7 (0.71) TLR8TLR7
SCHEMBL3876362 0.80 TLR7 (0.57) TLR8TLR7
SCHEMBL5461944 0.80 TLR7 (0.58) TLR8TLR7

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 5 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
CN-1906193-A Oxime substituted imidazo ring compounds 3M INNOVATIVE PROPERTIES CO (US) 2007-01-31 CN disclosed
CN-1906192-A Hydroxylamine substituted imidazo ring compounds 3M INNOVATIVE PROPERTIES CO (US) 2007-01-31 CN 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