⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5880933 | 0.95 | LDHA (0.30) | — | |
| SCHEMBL5880921 | 0.93 | CNR2 (0.30) | — | |
| SCHEMBL5881219 | 0.85 | — | — | |
| SCHEMBL8014337 | 0.83 | LDHA (0.30) | — | |
| SCHEMBL4319566 | 0.83 | LDHA (0.31) | — | |
| SCHEMBL5880714 | 0.81 | LDHA (0.31) | — | |
| SCHEMBL5880963 | 0.80 | LDHA (0.31) | — | |
| SCHEMBL7999062 | 0.76 | LDHA (0.30) | — | |
| SCHEMBL8014023 | 0.76 | LDHA (0.31) | — | |
| SCHEMBL5881162 | 0.75 | LDHA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2003095441-A1 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2003-11-20 | — | — | WO | disclosed |