SCHEMBL8250408

SCHEMBL8250408

C#CCCC(NC(=O)[C@@H]1[C@H]2CCC3(CC3)[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC=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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8246166 0.94 — —
SCHEMBL13225007 0.93 ABCG2 (0.31) —
SCHEMBL8244314 0.93 ABCG2 (0.35) —
SCHEMBL13225009 0.92 ABCG2 (0.32) —
SCHEMBL8240916 0.92 ABCG2 (0.33) —
SCHEMBL8248107 0.92 CTSV (0.32) —
SCHEMBL8240921 0.91 CTSV (0.33) —
SCHEMBL8248098 0.91 — —
SCHEMBL8239981 0.91 ELANE (0.35) —
SCHEMBL8247127 0.90 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 — — US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 — — US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 — — US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 — — US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 — — US disclosed
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
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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