SCHEMBL9325154

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)O[C@H](CO)[C@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	19/20	0.61

▸	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
SCHEMBL9472543	0.91	TLR4 (0.51)	TLR4LY96
SCHEMBL9472986	0.90	TLR4 (0.54)	TLR4LY96
SCHEMBL2002309	0.88	TLR4 (0.78)	TLR4LY96
SCHEMBL2004734	0.88	TLR4 (0.78)	TLR4LY96
SCHEMBL25412919	0.87	TLR4 (0.69)	TLR4LY96
SCHEMBL25412922	0.87	TLR4 (0.69)	TLR4LY96
SCHEMBL9472239	0.87	TLR4 (0.47)	TLR4LY96
SCHEMBL25415445	0.87	TLR4 (0.80)	TLR4LY96
SCHEMBL25415439	0.87	TLR4 (0.80)	TLR4LY96
SCHEMBL18789816	0.86	TLR4 (0.57)	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-0309411-B1	Saccharide derivatives	SANDOZ AG (CH)	1994-03-02	—	—	EP	disclosed