⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20995896 | 0.87 | — | — | |
| SCHEMBL21049870 | 0.87 | NPY1R (0.31) | — | |
| SCHEMBL805002 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL3672131 | 0.80 | GSR (0.32) | — | |
| SCHEMBL3672129 | 0.80 | GSR (0.32) | — | |
| SCHEMBL11930089 | 0.80 | — | — | |
| SCHEMBL789026 | 0.79 | PIM1 (0.31) | — | |
| SCHEMBL789075 | 0.79 | PIM1 (0.31) | — | |
| SCHEMBL11930081 | 0.76 | — | — | |
| SCHEMBL16850027 | 0.74 | GSR (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180162905-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2018-06-14 | — | — | US | disclosed |
| US-9220748-B2 | Macrocyclic proline derived HCV serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-12-29 | — | — | US | disclosed |
| US-20140194350-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-20120070416-A1 | Macrocyclic Proline Derived HCV Serine Protease Inhibitors | ENANTA PHARMACEUTICALS, INC. | 2012-03-22 | — | — | US | disclosed |