⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13893881 | 0.72 | — | — | |
| SCHEMBL8372247 | 0.69 | MEN1 (0.38) | — | |
| SCHEMBL13330781 | 0.65 | — | — | |
| SCHEMBL13636364 | 0.64 | — | — | |
| SCHEMBL8254461 | 0.63 | ARG1 (0.33) | — | |
| SCHEMBL5740988 | 0.63 | ARG1 (0.33) | — | |
| SCHEMBL13127843 | 0.63 | — | — | |
| SCHEMBL12635916 | 0.63 | ARG1 (0.33) | — | |
| SCHEMBL6760012 | 0.63 | THRB (0.33) | — | |
| SCHEMBL12914843 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8937080-B2 | Pyrimidine substituted macrocyclic HCV inhibitors | MEDIVIR AB (SE) | 2015-01-20 | — | — | US | disclosed |
| US-8383584-B2 | HCV inhibiting macrocyclic phenylcarbamates | MEDIVIR AB (SE) | 2013-02-26 | — | — | US | disclosed |
| US-20100323953-A1 | MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS | PHENOMIX CORPORATION (US) | 2010-12-23 | — | — | US | disclosed |
| US-20100113440-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | TIBOTEC PHARMACEUTICALS, LTD. (IE) | 2010-05-06 | — | — | US | disclosed |
| US-20100041728-A1 | HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES | MEDIVIR AB | 2010-02-18 | — | — | US | disclosed |