SCHEMBL9519954

CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OCC(=O)OCc3ccccc3)[C@H](NC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC(=O)CNC(=O)CCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	16/20	0.48

▸	LY96	Q9Y6Y9	6/20	0.48

▸	LGALS8	O00214	1/20	0.38

▸	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
SCHEMBL9518719	0.89	TLR4 (0.37)	TLR4LY96MCHR1
SCHEMBL9636074	0.84	TLR4 (0.40)	TLR4LY96MCHR1
SCHEMBL9520517	0.84	TLR4 (0.54)	TLR4LY96LGALS8MCHR1
SCHEMBL9520554	0.81	TLR4 (0.66)	TLR4LY96
SCHEMBL9635748	0.80	TLR4 (0.75)	TLR4LY96
SCHEMBL10530171	0.79	TLR4 (0.38)	TLR4LY96
SCHEMBL9637333	0.79	TLR4 (0.38)	TLR4LY96
SCHEMBL6567651	0.78	TLR4 (0.69)	TLR4LY96
SCHEMBL6567647	0.78	TLR4 (0.69)	TLR4LY96
SCHEMBL9520593	0.78	TLR4 (0.66)	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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0330715-B1	DISACCHARIDE DERIVATIVES	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1993-06-16	—	—	EP	disclosed
US-5134230-A	Disaccharide Antitumor Agent Intermediates	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1992-07-28	—	—	US	disclosed
US-5006647-A	Antitumor agents	DAIICHI SEIYAKU CO., LTD. (JP)	1991-04-09	—	—	US	disclosed
EP-0330715-A1	Disaccharide derivatives	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1989-09-06	—	—	EP	disclosed