⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14930717 | 0.83 | CNR2 (0.33) | — | |
| SCHEMBL4730908 | 0.81 | DPP4 (0.33) | — | |
| SCHEMBL16563025 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL4730547 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL4728395 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL4729530 | 0.75 | CYP3A4 (0.32) | — | |
| SCHEMBL1632220 | 0.75 | FFAR3 (0.30) | — | |
| SCHEMBL10202107 | 0.75 | DPP4 (0.31) | — | |
| SCHEMBL4730743 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL4742954 | 0.74 | DPP4 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9669027-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9669027-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9260414-B2 | Inhibitors of hepatitic C virus | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-16 | — | — | US | disclosed |
| US-9260414-B2 | Inhibitors of hepatitic C virus | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-16 | — | — | US | disclosed |
| US-20160038483-A1 | HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-11 | — | — | US | disclosed |
| US-20160038483-A1 | HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-02-11 | — | — | US | disclosed |
| US-9212168-B2 | Hepatitis C virus inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-15 | — | — | US | disclosed |
| US-20150071878-A1 | NOVEL INHIBITORS OF HEPATITIC C VIRUS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-03-12 | — | — | US | disclosed |
| US-20150071878-A1 | NOVEL INHIBITORS OF HEPATITIC C VIRUS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-03-12 | — | — | US | disclosed |
| US-20130115194-A1 | HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC | 2013-05-09 | — | — | US | disclosed |
| US-20120114600-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS | THERAVANCE, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-20120114600-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS | THERAVANCE, INC. (US) | 2012-05-10 | — | — | US | disclosed |