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SCHEMBL9128952

SCHEMBL9128952

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)O)CC(=O)O)O[C@H](COC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.50
▸ LY96 Q9Y6Y9 6/20 0.43
▸ SELL P14151 1/20 0.37
▸ SELP P16109 1/20 0.37

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
SCHEMBL9128948 1.00 TLR4 (0.50) TLR4LY96SELLSELP
SCHEMBL9126740 1.00 TLR4 (0.50) TLR4LY96SELLSELP
SCHEMBL9129913 1.00 TLR4 (0.50) TLR4LY96SELLSELP
SCHEMBL9129908 1.00 TLR4 (0.50) TLR4LY96SELLSELP
SCHEMBL9126183 0.94 TLR4 (0.50) TLR4LY96
SCHEMBL9126261 0.94 TLR4 (0.50) TLR4LY96
SCHEMBL9126184 0.94 TLR4 (0.50) TLR4LY96
SCHEMBL9125712 0.92 TLR4 (0.43) TLR4LY96SELP
SCHEMBL9125721 0.92 TLR4 (0.43) TLR4LY96SELP
SCHEMBL9127443 0.92 TLR4 (0.43) TLR4LY96SELP

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
US-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 — — EP disclosed
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