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Sugi Predict / Compounds / SCHEMBL2310785

SCHEMBL2310785

SCHEMBL2310785

C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.45
▸ LY96 Q9Y6Y9 4/20 0.34
▸ SELP P16109 1/20 0.34

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
SCHEMBL2311290 0.93 TLR4 (0.45) TLR4SELP
SCHEMBL2314217 0.93 TLR4 (0.42) TLR4SELP
SCHEMBL2312471 0.90 TLR4 (0.45) TLR4LY96SELP
SCHEMBL2314211 0.90 TLR4 (0.44) TLR4SELP
SCHEMBL2310244 0.89 TLR4 (0.50) TLR4LY96SELP
SCHEMBL9786319 0.87 TLR4 (0.44) TLR4LY96
SCHEMBL9786324 0.87 TLR4 (0.44) TLR4LY96
SCHEMBL2313871 0.87 TLR4 (0.41) TLR4SELP
SCHEMBL2307147 0.86 TLR4 (0.53) TLR4LY96SELP
SCHEMBL25412006 0.86 TLR4 (0.59) TLR4SELP

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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