⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6571860 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL6571856 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL28613317 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6570175 | 0.71 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL5633268 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL1289386 | 0.69 | — | — | |
| SCHEMBL30988434 | 0.69 | — | — | |
| SCHEMBL19068572 | 0.69 | — | — | |
| SCHEMBL15256453 | 0.69 | — | — | |
| SCHEMBL49845 | 0.67 | — | — |
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-20090088569-A1 | 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | ECKHARDT MATTHIAS | 2009-04-02 | — | — | US | disclosed |
| US-7476671-B2 | 2-amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-13 | — | — | US | disclosed |
| US-20070088038-A1 | 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | ECKHARDT MATTHIAS | 2007-04-19 | — | — | US | disclosed |
| US-7179809-B2 | 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-02-20 | — | — | US | disclosed |
| EP-1740589-A1 | NOVEL 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES AND 2-AMINO-IMIDAZO[4,5-C]PYRIDIN-4-ONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2007-01-10 | — | — | EP | disclosed |
| US-20050234235-A1 | 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | disclosed |
| WO-2005097798-A1 | NOVEL 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES AND 2-AMINO-IMIDAZO[4,5-C]PYRIDIN-4-ONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | WO | disclosed |