⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3990136 | 0.98 | — | — | |
| SCHEMBL6795869 | 0.90 | — | — | |
| SCHEMBL6793744 | 0.89 | — | — | |
| SCHEMBL3986456 | 0.88 | — | — | |
| SCHEMBL3994475 | 0.87 | — | — | |
| SCHEMBL3987994 | 0.87 | — | — | |
| SCHEMBL6794811 | 0.87 | — | — | |
| SCHEMBL3987978 | 0.86 | TSHR (0.34) | — | |
| SCHEMBL3994093 | 0.85 | KCNQ3 (0.30) | — | |
| SCHEMBL3992331 | 0.85 | — | — |
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-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | claimed |
| US-7473790-B2 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | PFIZER INC. (US) | 2009-01-06 | — | — | US | disclosed |
| US-20040224960-A1 | Pharmaceutical compositions and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-11-11 | — | — | US | disclosed |