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SCHEMBL2310244

SCHEMBL2310244

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc3ccccc3)[C@@H]2O)O[C@H](COCc2ccccc2)[C@H]1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 16/20 0.50
▸ SELP P16109 3/20 0.35
▸ LY96 Q9Y6Y9 1/20 0.32

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
SCHEMBL2313099 0.95 TLR4 (0.44) TLR4SELP
SCHEMBL2307234 0.92 TLR4 (0.48) TLR4
SCHEMBL7714520 0.91 TLR4 (0.60) TLR4SELPLY96
SCHEMBL2310785 0.89 TLR4 (0.45) TLR4SELPLY96
SCHEMBL2312471 0.89 TLR4 (0.45) TLR4SELPLY96
SCHEMBL18789816 0.87 TLR4 (0.57) TLR4SELPLY96
SCHEMBL25412006 0.87 TLR4 (0.59) TLR4SELP
SCHEMBL26980076 0.87 TLR4 (0.59) TLR4SELP
SCHEMBL2312622 0.85 TLR4 (0.54) TLR4
SCHEMBL2312604 0.85 TLR4 (0.53) 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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