SCHEMBL6400568

CN(C)S(=O)(=O)c1ccc([C@@H](CS(=O)(=O)Cc2ccc3sccc3c2)NO)cc1.CN(C)S(=O)(=O)c1ccccc1[C@@H](CS(=O)(=O)Cc1ccc2sccc2c1)N(OC(=O)OC(C)(C)C)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
SCHEMBL6608153	0.91	—	—
SCHEMBL6608144	0.91	—	—
SCHEMBL6607132	0.87	MMP2 (0.32)	—
SCHEMBL6607137	0.87	MMP2 (0.32)	—
SCHEMBL6401244	0.83	—	—
SCHEMBL6758604	0.82	—	—
SCHEMBL6607831	0.80	MMP2 (0.39)	—
SCHEMBL6607823	0.80	MMP2 (0.39)	—
SCHEMBL6406851	0.75	MMP2 (0.34)	—
SCHEMBL6403830	0.70	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20050288376-A1	Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides	SMITHKLINE BEECHAM PLC	2005-12-29	—	—	US	disclosed
US-20040024066-A1	Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides	SMITHKLINE BEECHAM P.L.C. (GB)	2004-02-05	—	—	US	disclosed