SCHEMBL2314102

SCHEMBL2314102

C=CCO[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H](OCc2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 20/20 0.52

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
SCHEMBL2364990 0.94 TLR4 (0.57) TLR4
SCHEMBL2311712 0.94 TLR4 (0.57) TLR4
SCHEMBL2314104 0.93 TLR4 (0.45) TLR4
SCHEMBL13231373 0.89 TLR4 (0.46) TLR4
SCHEMBL2792673 0.89 TLR4 (0.46) TLR4
SCHEMBL2792671 0.89 TLR4 (0.46) TLR4
SCHEMBL2364992 0.87 TLR4 (0.49) TLR4
SCHEMBL2311714 0.87 TLR4 (0.49) TLR4
SCHEMBL2306694 0.87 TLR4 (0.52) TLR4
SCHEMBL2306688 0.87 TLR4 (0.52) TLR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
EP-1232168-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2002-08-21 — — EP disclosed
WO-2001036433-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2001-05-25 — — WO disclosed
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