⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29148097 | 0.80 | GABRA1 (0.32) | — | |
| SCHEMBL4959198 | 0.77 | NUDT1 (0.38) | — | |
| SCHEMBL4959242 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL7180186 | 0.73 | CCNB2 (0.30) | — | |
| SCHEMBL4336356 | 0.71 | — | — | |
| SCHEMBL1079075 | 0.70 | ALDH1A1 (0.49) | — | |
| SCHEMBL8128978 | 0.69 | — | — | |
| SCHEMBL9318327 | 0.68 | — | — | |
| SCHEMBL5961402 | 0.65 | — | — | |
| SCHEMBL8607902 | 0.64 | MAPT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090264384-A1 | INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF | NUADA, INC. (US) | 2009-10-22 | — | — | US | disclosed |
| US-20090005344-A1 | Compounds and Methods of Use Thereof | NKUADA, LLC (US) | 2009-01-01 | — | — | US | disclosed |
| US-20080319044-A1 | Compounds and Methods of Use Thereof | NUADA, LLC (US) | 2008-12-25 | — | — | US | disclosed |
| US-20080269204-A1 | Compounds and Methods of Use Thereof | DYAKONOV TATYANA | 2008-10-30 | — | — | US | disclosed |
| WO-2007134169-A9 | INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF | NUADA LLC (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-1812451-A2 | COMPOUNDS AND METHODS OF USE THEREOF | Nuada, LLC (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006050236-A2 | COMPOUNDS AND METHODS OF USE THEREOF | NUADA, LLC (US) | 2006-05-11 | — | — | WO | disclosed |
| WO-2006050053-A2 | COMPOUNDS AND METHODS OF USE THEREOF | NUADA, LLC (US) | 2006-05-11 | — | — | WO | disclosed |
| WO-2006050054-A2 | COMPOUNDS AND METHODS OF USE THEREOF | NUADA, LLC (US) | 2006-05-11 | — | — | WO | disclosed |