SCHEMBL3316181

SCHEMBL3316181

CCOCc1nc2c(N)nc3cccc(C(=O)O)c3c2n1CC(C)(C)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.71
TLR8 Q9NR97 12/20 0.71
NUDT1 P36639 1/20 0.71

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
SCHEMBL21712328 0.85 TLR7 (0.70) TLR7TLR8NUDT1
SCHEMBL7834768 0.83 TLR7 (0.71) TLR7TLR8NUDT1
Resiquimod SCHEMBL34159 0.83 TLR7 (1.00) TLR7TLR8NUDT1
Resiquimod SCHEMBL21352711 0.83 TLR7 (1.00) TLR7TLR8NUDT1
Resiquimod SCHEMBL2262583 0.82 TLR7 (0.98) TLR7TLR8NUDT1
Resiquimod SCHEMBL2266073 0.82 TLR7 (0.98) TLR7TLR8NUDT1
Resiquimod SCHEMBL2145628 0.82 TLR7 (0.77) TLR7TLR8NUDT1
SCHEMBL1895766 0.79 TLR7 (0.74) TLR7TLR8NUDT1
Pamoic Acid SCHEMBL2219596 0.79 TLR7 (0.72) TLR7TLR8NUDT1
Resiquimod SCHEMBL17190806 0.79 TLR7 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718162-B2 Medicinal aerosol compositions with a functionalized polyethyleneglycol excipient 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-05-18 US disclosed
US-20030152521-A1 Medicinal aerosol compositions with a functionalized polyethyleneglycol excipient 3M INNOVATIVE PROPERTIES COMPANY 2003-08-14 US disclosed