⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12635916 | 0.85 | ARG1 (0.33) | — | |
| SCHEMBL5740988 | 0.85 | ARG1 (0.33) | — | |
| SCHEMBL8254461 | 0.85 | ARG1 (0.33) | — | |
| SCHEMBL1101939 | 0.81 | — | — | |
| SCHEMBL13127843 | 0.81 | — | — | |
| SCHEMBL12914843 | 0.81 | — | — | |
| SCHEMBL6760012 | 0.81 | THRB (0.33) | — | |
| SCHEMBL15653894 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL31716111 | 0.78 | — | — | |
| SCHEMBL31717005 | 0.78 | — | — |
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-7700552-B2 | Macrocyclic inhibitors of hepatitis C virus | MEDIVIR AB (SE) | 2010-04-20 | — | — | US | disclosed |
| US-20090023758-A1 | Macrocyclic Inhibitors of Hepatitis C Virus | MEDIVIR AB (SE) | 2009-01-22 | — | — | US | disclosed |