SCHEMBL7714520

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc3ccccc3)[C@@H]2O)O[C@H](COCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	19/20	0.60

▸	SELP	P16109	1/20	0.38

▸	LY96	Q9Y6Y9	1/20	0.38

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.

Compound	similarity	top predicted	shared targets
SCHEMBL18789816	0.96	TLR4 (0.57)	TLR4SELPLY96
SCHEMBL2312622	0.94	TLR4 (0.54)	TLR4
SCHEMBL2312604	0.94	TLR4 (0.53)	TLR4
SCHEMBL2306482	0.94	TLR4 (0.58)	TLR4SELPLY96
SCHEMBL2314049	0.94	TLR4 (0.58)	TLR4SELPLY96
SCHEMBL2311639	0.93	TLR4 (0.53)	TLR4
SCHEMBL18789819	0.93	TLR4 (0.56)	TLR4SELP
SCHEMBL24247677	0.92	TLR4 (0.62)	TLR4LY96
SCHEMBL2310244	0.91	TLR4 (0.50)	TLR4SELPLY96
SCHEMBL7714522	0.91	TLR4 (0.56)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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