SCHEMBL5609494

Cc1n[nH]cc1S(=O)(=O)N(C(=O)[C@H]1NC(C)(C)CS1)[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O.Cc1n[nH]cc1S(=O)(=O)N(C(=O)[C@H]1NC(C)(C)CS1)[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4419699	0.97	—	—
SCHEMBL4421319	0.94	ITGB1 (0.32)	—
SCHEMBL4449503	0.90	ITGB1 (0.30)	—
SCHEMBL4455497	0.90	—	—
SCHEMBL4453834	0.90	—	—
SCHEMBL4422941	0.89	—	—
SCHEMBL7716513	0.89	P2RX7 (0.32)	—
SCHEMBL4448661	0.88	—	—
SCHEMBL4418761	0.88	—	—
SCHEMBL4458337	0.88	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1592386-A4	COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS	ELAN PHARM INC (US)	2007-06-13	—	—	EP	claimed
EP-1592386-A2	COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS	Elan Pharmaceuticals, Inc. (US)	2005-11-09	—	—	EP	claimed
WO-2004066931-A2	COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS	ELAN PHARMACEUTICALS INC. (US)	2004-08-12	—	—	WO	claimed