SCHEMBL10354481

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.52

▸	SELP	P16109	2/20	0.41

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
SCHEMBL10354142	0.93	TLR4 (0.43)	TLR4SELP
SCHEMBL10775862	0.88	TLR4 (0.48)	TLR4SELP
SCHEMBL10775868	0.88	TLR4 (0.48)	TLR4SELP
SCHEMBL9324219	0.88	TLR4 (0.48)	TLR4SELP
SCHEMBL9324213	0.88	TLR4 (0.48)	TLR4SELP
SCHEMBL9624581	0.85	TLR4 (0.51)	TLR4SELP
SCHEMBL9624577	0.85	TLR4 (0.51)	TLR4SELP
SCHEMBL8432676	0.84	TLR4 (0.55)	TLR4
SCHEMBL6795483	0.82	TLR4 (0.57)	TLR4SELP
SCHEMBL6807622	0.82	TLR4 (0.57)	TLR4SELP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0180608-B1	2,3-DIAMINO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE	SANDOZ AG (CH)	1990-07-25	—	—	EP	disclosed
US-4698331-A	2,3-diamino-2,3-didesoxyhexose derivatives and their use	SANDOZ LTD. (CH)	1987-10-06	—	—	US	disclosed
EP-0180608-A1	2,3-DIAMINO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE.	SANDOZ AG (CH)	1986-05-14	—	—	EP	disclosed
WO-1985004881-A1	2,3-DINAMO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE	SANDOZ AG (CH)	1985-11-07	—	—	WO	disclosed