SCHEMBL7451225

SCHEMBL7451225

CCCCCCCCCCCC(CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCc1ccccc1)OC(=O)CCCCCCCCc1ccccc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.53
▸ LY96 Q9Y6Y9 4/20 0.39

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
SCHEMBL6802266 1.00 TLR4 (0.53) TLR4LY96
SCHEMBL6803469 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8521876 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8521023 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8522205 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL6141375 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8522202 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8521519 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8598586 0.99 TLR4 (0.54) TLR4LY96
SCHEMBL8435689 0.99 TLR4 (0.54) TLR4LY96

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-1095653-A9 GLUCOPYRANOSE DERIVATIVES AND PREVENTIVES AND/OR REMEDIES FOR HIV INFECTION CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-03 — — EP disclosed
EP-1095653-A1 GLUCOPYRANOSE DERIVATIVES AND PREVENTIVES AND/OR REMEDIES FOR HIV INFECTION CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-02 — — EP disclosed
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