⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9578593 | 0.76 | — | — | |
| SCHEMBL11705057 | 0.71 | — | — | |
| SCHEMBL17593425 | 0.68 | — | — | |
| Acetone SCHEMBL27577543 | 0.68 | — | — | |
| SCHEMBL18130705 | 0.68 | — | — | |
| SCHEMBL3576090 | 0.67 | — | — | |
| SCHEMBL7624503 | 0.66 | — | — | |
| SCHEMBL227499 | 0.65 | — | — | |
| SCHEMBL9773248 | 0.64 | AQP3 (0.30) | — | |
| Acetone SCHEMBL27557244 | 0.64 | — | — |
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-7115658-B2 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase | AGOURON PHARMACEUTICALS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-20040023958-A1 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | AGOURON PHARMACEUTICALS, INC. | 2004-02-05 | — | — | US | disclosed |