Eritoran

SCHEMBL12836754

CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

LY96 TLR4

The experimentally established mechanism targets of Eritoran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

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

▸	LY96 known ✓	Q9Y6Y9	4/20	0.43

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
Eritoran SCHEMBL12762848	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL10071635	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL13302901	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL10042165	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL10042160	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL10071018	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL12371609	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL14081112	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL21378839	1.00	TLR4 (1.00)	TLR4LY96
Eritoran SCHEMBL10042156	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-7906633-B2	Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof	EISAI R&D MANAGEMENT CO., LTD. (JP)	2011-03-15	—	—	US	disclosed