⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12192481 | 0.87 | — | — | |
| SCHEMBL12192505 | 0.86 | — | — | |
| SCHEMBL12192455 | 0.86 | — | — | |
| SCHEMBL8052080 | 0.80 | DDB1 (0.35) | — | |
| SCHEMBL12192480 | 0.80 | — | — | |
| SCHEMBL12192471 | 0.78 | — | — | |
| SCHEMBL16263090 | 0.77 | CYP3A4 (0.47) | — | |
| SCHEMBL13624787 | 0.77 | CYP3A4 (0.47) | — | |
| SCHEMBL4925753 | 0.77 | CYP3A4 (0.47) | — | |
| SCHEMBL12105550 | 0.76 | CYP3A4 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8030307-B2 | Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease | ENANTA PHARMACEUTICALS, INC. (US) | 2011-10-04 | — | — | US | disclosed |
| WO-2009070689-A1 | BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-04 | — | — | WO | disclosed |