⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13267445 | 0.82 | — | — | |
| SCHEMBL3265275 | 0.79 | — | — | |
| SCHEMBL12849171 | 0.79 | — | — | |
| SCHEMBL19634199 | 0.77 | CHRNB2 (0.33) | — | |
| SCHEMBL14415892 | 0.77 | CHRNB2 (0.32) | — | |
| SCHEMBL14228743 | 0.77 | — | — | |
| SCHEMBL12849087 | 0.77 | — | — | |
| SCHEMBL13267259 | 0.73 | KCNH2 (0.32) | — | |
| SCHEMBL12849088 | 0.73 | — | — | |
| SCHEMBL13267549 | 0.73 | KCNH2 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014019344-A1 | BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2014-02-06 | — | — | WO | disclosed |
| US-20110064698-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2011-03-17 | — | — | US | disclosed |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-08 | — | — | US | disclosed |
| US-20090291902-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-26 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |