SCHEMBL7865429

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	19/20	1.00

▸	LY96	Q9Y6Y9	3/20	0.58

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
SCHEMBL18630161	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL21707846	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL7866764	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL7866788	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL12621283	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL23252094	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL22428377	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL22428378	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL22428407	1.00	TLR4 (1.00)	TLR4LY96
SCHEMBL7128242	1.00	TLR4 (1.00)	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
US-6303347-B1	VACCINES	CORIXA CORPORATION	2001-10-16	—	—	US	disclosed