SCHEMBL7721813

CCCCCCCCCCCCO[C@H](CCCCCCCCCCC)CC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OP(=O)(OCc3ccccc3)OCc3ccccc3)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCCCC)[C@H]2N)[C@@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	18/20	0.49

▸	MCHR1	Q99705	2/20	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
SCHEMBL2311639	0.96	TLR4 (0.53)	TLR4MCHR1
SCHEMBL2312604	0.95	TLR4 (0.53)	TLR4MCHR1
SCHEMBL7721766	0.93	TLR4 (0.56)	TLR4MCHR1
SCHEMBL2312622	0.92	TLR4 (0.54)	TLR4MCHR1
SCHEMBL2307234	0.90	TLR4 (0.48)	TLR4MCHR1
SCHEMBL7714520	0.89	TLR4 (0.60)	TLR4
SCHEMBL7714522	0.88	TLR4 (0.56)	TLR4
SCHEMBL18789816	0.87	TLR4 (0.57)	TLR4
SCHEMBL24247678	0.87	TLR4 (0.48)	TLR4
SCHEMBL2306482	0.86	TLR4 (0.58)	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 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