SCHEMBL9523412

CCCCCCCCCCCC(=O)NCC(=O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OCCCC(=O)CCCCCCCCCC)[C@H]2NC(=O)CN(C)C(=O)CCCCCCCCCCC)O[C@H](OCCOP(=O)(O)O)[C@@H]1NC(=O)CN(C)C(=O)CCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	19/20	0.51

▸	LY96	Q9Y6Y9	6/20	0.49

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
SCHEMBL9637774	0.95	TLR4 (0.56)	TLR4LY96
SCHEMBL9520679	0.94	TLR4 (0.56)	TLR4LY96
SCHEMBL9637803	0.91	TLR4 (0.56)	TLR4LY96
SCHEMBL9520468	0.90	TLR4 (0.52)	TLR4LY96
SCHEMBL9519147	0.88	TLR4 (0.63)	TLR4LY96
SCHEMBL9520593	0.87	TLR4 (0.66)	TLR4LY96
SCHEMBL9523431	0.87	TLR4 (0.47)	TLR4LY96
SCHEMBL9520557	0.86	TLR4 (0.53)	TLR4LY96
SCHEMBL9520514	0.86	TLR4 (0.58)	TLR4LY96
SCHEMBL9518860	0.86	TLR4 (0.55)	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 1 patent. 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	claimed