SCHEMBL13685665

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCN(S(=O)(=O)CC[Si](C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(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
SCHEMBL13685576	0.90	BACE1 (0.33)	—
SCHEMBL16349602	0.90	—	—
SCHEMBL13685650	0.89	—	—
SCHEMBL8290280	0.87	BACE1 (0.31)	—
SCHEMBL8050876	0.87	BACE1 (0.31)	—
SCHEMBL13685573	0.87	BACE1 (0.32)	—
SCHEMBL13685647	0.87	—	—
SCHEMBL13685662	0.86	BACE1 (0.30)	—
SCHEMBL13685708	0.85	—	—
SCHEMBL13685649	0.85	—	—

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-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed