SCHEMBL173461

SCHEMBL173461

[CH2]COCCn1c(COCC)nc2c(N)nc3ccccc3c21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.81
TLR7 Q9NYK1 19/20 0.69
NUDT1 P36639 1/20 0.66

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
SCHEMBL17951269 0.91 TLR8 (0.88) TLR8TLR7NUDT1
SCHEMBL13999937 0.90 TLR8 (0.86) TLR8TLR7NUDT1
SCHEMBL28807387 0.90 TLR8 (0.75) TLR8TLR7NUDT1
SCHEMBL5111244 0.89 TLR8 (1.00) TLR8TLR7NUDT1
SCHEMBL6105673 0.89 TLR8 (0.81) TLR8TLR7NUDT1
SCHEMBL15441707 0.88 TLR8 (0.83) TLR8TLR7NUDT1
SCHEMBL25697382 0.88 TLR8 (0.78) TLR8TLR7NUDT1
SCHEMBL1616206 0.87 TLR8 (0.84) TLR8TLR7NUDT1
SCHEMBL6098914 0.87 TLR8 (0.77) TLR8TLR7NUDT1
SCHEMBL15318536 0.87 TLR8 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480253-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS Novartis AG (CH) 2012-08-01 EP disclosed
WO-2012031140-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2012-03-08 WO disclosed