SCHEMBL14598541

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCCCC(NC(=O)N[C@H](CN(C)S(=O)(=O)N(C)C)C(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
SCHEMBL7860522	1.00	—	—
SCHEMBL13685071	0.94	—	—
SCHEMBL12607100	0.94	—	—
SCHEMBL13685072	0.89	MDM2 (0.30)	—
SCHEMBL12606638	0.89	MDM2 (0.30)	—
SCHEMBL12606652	0.88	—	—
SCHEMBL12606660	0.88	—	—
SCHEMBL8289306	0.88	—	—
SCHEMBL8290648	0.87	—	—
SCHEMBL13685699	0.86	—	—

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-20070004635-A1	Method of treating interferon non-responders using HCV protease inhibitor	SCHERING CORPORATION	2007-01-04	—	—	US	disclosed
US-20070004635-A1	Method of treating interferon non-responders using HCV protease inhibitor	SCHERING CORPORATION	2007-01-04	—	—	US	disclosed