SCHEMBL6773786

SCHEMBL6773786

CCCCS(=O)(=O)NCCCn1c(COCC)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.39
TLR8 Q9NR97 11/20 0.38
NUDT1 P36639 1/20 0.35

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
SCHEMBL6777551 0.92 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6285260 0.89 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL5339393 0.88 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL4878032 0.87 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL5340229 0.87 TLR8 (0.40) TLR7TLR8NUDT1
SCHEMBL6774466 0.86 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6096443 0.86 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL13914516 0.86 TLR8 (0.39) TLR7TLR8NUDT1
SCHEMBL4792350 0.86 TLR8 (0.39) TLR7TLR8NUDT1
SCHEMBL4870279 0.85 TLR7 (0.48) TLR7TLR8

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed