SCHEMBL29608129

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCc1ccccc1)OCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.45

▸	BCHE	P06276	2/20	0.36

▸	ACHE	P22303	2/20	0.36

▸	LGALS8	O00214	1/20	0.36

▸	TLR2	O60603	2/20	0.36

▸	SELP	P16109	1/20	0.33

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
SCHEMBL29606973	0.92	TLR4 (0.45)	TLR4BCHEACHELGALS8SELP
SCHEMBL29607653	0.92	TLR4 (0.52)	TLR4BCHEACHELGALS8TLR2
SCHEMBL29607746	0.86	TLR4 (0.46)	TLR4BCHEACHELGALS8TLR2
SCHEMBL29608234	0.85	TLR4 (0.42)	TLR4LGALS8SELP
SCHEMBL29608248	0.83	TLR4 (0.53)	TLR4LGALS8SELP
SCHEMBL29607907	0.82	TLR4 (0.40)	TLR4LGALS8TLR2SELP
SCHEMBL2306934	0.82	LGALS8 (0.42)	TLR4LGALS8SELP
SCHEMBL2306939	0.82	LGALS8 (0.42)	TLR4LGALS8SELP
SCHEMBL2313867	0.78	TLR4 (0.39)	TLR4LGALS8TLR2SELP
SCHEMBL29607882	0.78	TLR4 (0.47)	TLR4LGALS8TLR2SELP

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
WO-2022102652-A1	NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE	第一三共株式会社	2022-05-19	—	—	WO	disclosed