⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12231941 | 0.96 | — | — | |
| SCHEMBL11928882 | 0.92 | — | — | |
| SCHEMBL12231937 | 0.82 | — | — | |
| SCHEMBL12438199 | 0.80 | — | — | |
| SCHEMBL14985701 | 0.80 | — | — | |
| SCHEMBL25707643 | 0.79 | — | — | |
| SCHEMBL25839881 | 0.79 | — | — | |
| SCHEMBL13156845 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL12380675 | 0.76 | — | — | |
| SCHEMBL25729547 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110070197-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |