⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12422694 | 0.79 | BRD4 (0.32) | — | |
| SCHEMBL887568 | 0.61 | ESR1 (0.32) | — | |
| SCHEMBL8900216 | 0.60 | BRD4 (0.38) | — | |
| SCHEMBL19604062 | 0.59 | TDP1 (0.41) | — | |
| SCHEMBL23665586 | 0.58 | ESR1 (0.33) | — | |
| SCHEMBL15957854 | 0.58 | LMNA (0.35) | — | |
| SCHEMBL2808490 | 0.57 | ALDH1A1 (0.52) | — | |
| SCHEMBL3645322 | 0.57 | TSHR (0.54) | — | |
| SCHEMBL29994030 | 0.57 | TSHR (0.54) | — | |
| SCHEMBL12422704 | 0.57 | ELANE (0.37) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140243257-A1 | BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-28 | — | — | US | disclosed |
| US-8779156-B2 | Analogues for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-15 | — | — | US | disclosed |
| US-8765731-B2 | Benzimidazole analogues for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130157997-A1 | BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-20 | — | — | US | disclosed |
| US-20130102629-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-25 | — | — | US | disclosed |
| US-20130090351-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090364-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130085150-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | US | disclosed |
| US-20130072523-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-21 | — | — | US | disclosed |
| US-8354419-B2 | Benzimidazole analogues for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-15 | — | — | US | disclosed |
| US-20110172238-A1 | BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED | 2011-07-14 | — | — | US | disclosed |