SCHEMBL9019122

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H](COC(=O)OCc2ccccc2)O[C@H](O)[C@@]1(O)NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.39

▸	SELP	P16109	6/20	0.32

▸	MEN1	O00255	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	HPGD	P15428	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

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
SCHEMBL9019057	0.86	TLR4 (0.53)	TLR4
SCHEMBL9019055	0.86	TLR4 (0.53)	TLR4
SCHEMBL9019073	0.85	TLR4 (0.47)	TLR4
SCHEMBL9019085	0.85	TLR4 (0.47)	TLR4
SCHEMBL9852675	0.81	TLR4 (0.51)	TLR4SELP
SCHEMBL9019079	0.81	TLR4 (0.51)	TLR4SELP
SCHEMBL9019042	0.77	TLR4 (0.54)	TLR4
SCHEMBL9019056	0.77	TLR4 (0.54)	TLR4
SCHEMBL9019160	0.76	TLR4 (0.44)	TLR4
SCHEMBL8581559	0.76	TLR4 (0.44)	TLR4

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-0437016-B1	Lipid A analogues having immunoactivating and anti-tumour activity	SANKYO CO (JP)	1996-05-01	—	—	EP	disclosed