SCHEMBL2311712

SCHEMBL2311712

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.57
▸ LY96 Q9Y6Y9 3/20 0.42

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 1.00 TLR4 (0.57) TLR4LY96
SCHEMBL2314102 0.94 TLR4 (0.52) TLR4
SCHEMBL2311714 0.92 TLR4 (0.49) TLR4
SCHEMBL2364992 0.92 TLR4 (0.49) TLR4
SCHEMBL6800991 0.91 TLR4 (0.57) TLR4LY96
SCHEMBL6807623 0.91 TLR4 (0.57) TLR4LY96
SCHEMBL6795483 0.91 TLR4 (0.57) TLR4LY96
SCHEMBL6807622 0.91 TLR4 (0.57) TLR4LY96
SCHEMBL10613216 0.90 TLR4 (0.60) TLR4LY96
SCHEMBL8436288 0.88 TLR4 (0.54) TLR4LY96

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
Send feedback