⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8764275 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL578962 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL17513798 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL76123 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL21964008 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL7148889 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL570718 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL10891271 | 0.79 | PDE4A (0.30) | — | |
| SCHEMBL5029667 | 0.78 | PDE4A (0.38) | — | |
| SCHEMBL4761823 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2822559-A1 | IMIDAZO [1, 2 - B]PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF | Lexicon Pharmaceuticals, Inc. (US) | 2015-01-14 | — | — | EP | disclosed |
| US-20130233501-A1 | MODIFICATION OF XYLAN | STELLENBOSCH UNIVERSITY (ZA) | 2013-09-12 | — | — | US | disclosed |
| WO-2013134219-A1 | IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF | LEXICON PHARMACEUTICALS, INC. (US) | 2013-09-12 | — | — | WO | disclosed |
| EP-2580249-A1 | MODIFICATION OF XYLAN | Stellenbosch University (ZA) | 2013-04-17 | — | — | EP | disclosed |
| WO-2010113020-A1 | AN ENZYME WITH ALPHA-GLUCURONIDASE ACTIVITY | STELLENBOSCH UNIVERSITY (ZA) | 2010-10-07 | — | — | WO | disclosed |