⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5528853 | 0.90 | — | — | |
| SCHEMBL13223274 | 0.88 | — | — | |
| SCHEMBL8231246 | 0.87 | — | — | |
| SCHEMBL1014669 | 0.87 | — | — | |
| SCHEMBL8261915 | 0.86 | TET3 (0.39) | — | |
| SCHEMBL8270883 | 0.86 | TET3 (0.39) | — | |
| SCHEMBL13245776 | 0.85 | — | — | |
| SCHEMBL3058114 | 0.85 | METAP2 (0.41) | — | |
| SCHEMBL3044103 | 0.85 | CYP3A4 (0.33) | — | |
| SCHEMBL1014453 | 0.84 | METAP2 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2272858-A2 | HCV inhibitors comprising beta amino acids and their uses | Novartis AG (CH) | 2011-01-12 | — | — | EP | disclosed |
| US-20080045530-A1 | Organic Compounds and Their Uses | BRANDL TRIXI | 2008-02-21 | — | — | US | disclosed |
| US-20080045530-A1 | Organic Compounds and Their Uses | BRANDL TRIXI | 2008-02-21 | — | — | US | disclosed |
| US-20080045530-A1 | Organic Compounds and Their Uses | BRANDL TRIXI | 2008-02-21 | — | — | US | disclosed |
| US-20070265281-A1 | Organic Compounds and Their Uses | COTTENS SYLVAIN | 2007-11-15 | — | — | US | disclosed |
| US-20070265281-A1 | Organic Compounds and Their Uses | COTTENS SYLVAIN | 2007-11-15 | — | — | US | disclosed |
| US-20070265281-A1 | Organic Compounds and Their Uses | COTTENS SYLVAIN | 2007-11-15 | — | — | US | disclosed |
| WO-2007121125-A2 | HCV INHIBITORS | NOVARTIS AG (CH) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007121124-A2 | HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES | NOVARTIS AG (CH) | 2007-10-25 | — | — | WO | disclosed |