Sugi Predict

Sugi Predict / Compounds / SCHEMBL2311290

SCHEMBL2311290

SCHEMBL2311290

C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCCCC)[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
▸ TLR2 O60603 2/20 0.33
▸ SELP P16109 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
SCHEMBL2313871 0.94 TLR4 (0.41) TLR4TLR2SELP
SCHEMBL2310785 0.93 TLR4 (0.45) TLR4SELP
SCHEMBL2313867 0.91 TLR4 (0.39) TLR4TLR2SELP
SCHEMBL2310112 0.90 TLR4 (0.43) TLR4TLR2
SCHEMBL2313099 0.90 TLR4 (0.44) TLR4TLR2SELP
SCHEMBL7717841 0.89 TLR4 (0.41) TLR4TLR2
SCHEMBL2795489 0.89 TLR4 (0.38) TLR4SELP
SCHEMBL2795490 0.89 TLR4 (0.38) TLR4SELP
SCHEMBL2307234 0.86 TLR4 (0.48) TLR4
SCHEMBL2314217 0.86 TLR4 (0.42) 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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