SCHEMBL31124762

SCHEMBL31124762

COc1cc(Cn2c(O)nc3c(N)nc(OCCO)nc32)cc(C(C)O[PH](=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.40
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL31126594 0.78 TLR7 (0.44) TLR7
SCHEMBL31124764 0.76 TLR7 (0.44) TLR7
SCHEMBL31124754 0.74 TLR7 (0.40) TLR7
SCHEMBL31124749 0.74 TLR7 (0.40) TLR7ADORA2AADORA2B
SCHEMBL15432522 0.73 TLR7 (0.58) TLR7ADORA2AADORA2B
SCHEMBL2060185 0.71 TLR7 (0.61) TLR7
SCHEMBL31126609 0.70 TLR7 (0.45) TLR7
SCHEMBL31126631 0.70 TLR7 (0.45) TLR7
SCHEMBL31126569 0.70 TLR7 (0.45) TLR7
SCHEMBL2060082 0.70 TLR7 (0.52) TLR7

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-118724963-A Macrocyclic compounds containing phosphorus or sulfur and use thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 — — CN disclosed
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