SCHEMBL31337613

SCHEMBL31337613

CCCC(C)c1nc2c(N)nc3cc(Br)ccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.49
▸ TLR8 Q9NR97 11/20 0.43

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
SCHEMBL31709718 1.00 TLR7 (0.49) TLR7TLR8
SCHEMBL30583592 0.81 TLR7 (0.52) TLR7TLR8
SCHEMBL30583371 0.78 TLR7 (0.52) TLR7TLR8
SCHEMBL31581178 0.74 TLR7 (0.76) TLR7TLR8
SCHEMBL29947776 0.74 TLR7 (0.82) TLR7TLR8
SCHEMBL15698491 0.74 TLR7 (0.82) TLR7TLR8
SCHEMBL29136653 0.73 TLR7 (0.67) TLR7TLR8
SCHEMBL3865484 0.72 TLR7 (0.56) TLR7TLR8
SCHEMBL30024432 0.72 TLR7 (0.65) TLR7TLR8
SCHEMBL13837167 0.72 TLR7 (0.69) 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
CN-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 — — CN disclosed
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