SCHEMBL15436857

SCHEMBL15436857

CCOCc1nc2c(N)nc3cc(CCC(F)(F)[PH](=O)O)ccc3c2n1CC(C)(C)O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.65
TLR8 Q9NR97 16/20 0.65
NUDT1 P36639 1/20 0.61

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
SCHEMBL255083 0.87 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL4533229 0.87 TLR7 (0.71) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL17205775 0.86 TLR7 (0.70) TLR7TLR8NUDT1
SCHEMBL4531172 0.86 TLR7 (0.72) TLR7TLR8NUDT1
SCHEMBL4524564 0.84 TLR7 (0.81) TLR7TLR8NUDT1
SCHEMBL4527064 0.84 TLR7 (0.71) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL17181450 0.84 TLR7 (0.80) TLR7TLR8NUDT1
SCHEMBL30583290 0.81 TLR7 (0.73) TLR7TLR8NUDT1
SCHEMBL25927911 0.81 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL30583250 0.81 TLR7 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 EP disclosed