⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8017416 | 0.74 | — | — | |
| SCHEMBL724216 | 0.65 | — | — | |
| SCHEMBL19519129 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL19519132 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL12055991 | 0.60 | — | — | |
| SCHEMBL25944122 | 0.60 | — | — | |
| SCHEMBL31275630 | 0.60 | — | — | |
| SCHEMBL24982540 | 0.60 | — | — | |
| SCHEMBL1488439 | 0.58 | — | — | |
| SCHEMBL20144434 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008134398-A1 | OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |