⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12841755 | 0.87 | — | — | |
| SCHEMBL13187983 | 0.67 | FDPS (0.36) | — | |
| SCHEMBL24387615 | 0.66 | AAK1 (0.38) | — | |
| SCHEMBL12966169 | 0.65 | HDAC7 (0.36) | — | |
| SCHEMBL17252910 | 0.63 | NPSR1 (0.42) | — | |
| SCHEMBL19483453 | 0.61 | — | — | |
| SCHEMBL12966158 | 0.61 | CTRB1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL25254223 | 0.60 | SLC22A6 (0.39) | — | |
| SCHEMBL29166040 | 0.59 | NPY5R (0.45) | — | |
| SCHEMBL30476807 | 0.59 | NPY5R (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011031904-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2011031934-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2010148006-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2010-12-23 | — | — | WO | disclosed |