SCHEMBL9625168

C=CCO[C@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)OCC(Cl)(Cl)Cl)[C@@H](OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]2NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OCC=C)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	19/20	0.46

▸	LY96	Q9Y6Y9	3/20	0.31

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
SCHEMBL9625166	0.97	TLR4 (0.48)	TLR4LY96
SCHEMBL9786324	0.93	TLR4 (0.44)	TLR4LY96
SCHEMBL9786319	0.93	TLR4 (0.44)	TLR4LY96
SCHEMBL9852726	0.92	TLR4 (0.49)	TLR4LY96
SCHEMBL9626327	0.89	TLR4 (0.57)	TLR4LY96
SCHEMBL9519807	0.87	TLR4 (0.40)	TLR4
SCHEMBL7141779	0.87	TLR4 (0.36)	TLR4
SCHEMBL7141782	0.87	TLR4 (0.36)	TLR4
SCHEMBL9626318	0.85	TLR4 (0.60)	TLR4LY96
SCHEMBL2310785	0.85	TLR4 (0.45)	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-0172581-B1	DISACCHARIDE DERIVATIVES	DAIICHI SEIYAKU CO., LTD. (JP)	1992-05-06	—	—	EP	disclosed
US-5066794-A	Coupling monosaccharides, phosphonation, protecting, deprotecting	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1991-11-19	—	—	US	disclosed