⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13505938 | 0.88 | — | — | |
| SCHEMBL1914073 | 0.88 | — | — | |
| SCHEMBL1914144 | 0.88 | — | — | |
| SCHEMBL1914051 | 0.83 | PARP1 (0.33) | — | |
| SCHEMBL14841317 | 0.78 | KMT2A (0.38) | — | |
| SCHEMBL1913923 | 0.77 | CYP2C9 (0.51) | — | |
| SCHEMBL1914149 | 0.77 | HCRTR1 (0.38) | — | |
| SCHEMBL1914237 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL1914198 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL1914033 | 0.76 | CYP2C9 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8779156-B2 | Analogues for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130090351-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130072523-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-21 | — | — | US | disclosed |
| EP-2550267-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-01-30 | — | — | EP | disclosed |
| EP-2515902-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011119853-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-29 | — | — | WO | disclosed |
| WO-2011079327-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-30 | — | — | WO | disclosed |