⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1147539 | 0.84 | — | — | |
| SCHEMBL1184758 | 0.81 | — | — | |
| SCHEMBL3227020 | 0.81 | — | — | |
| SCHEMBL3579803 | 0.81 | — | — | |
| SCHEMBL2504923 | 0.79 | — | — | |
| SCHEMBL7698086 | 0.79 | — | — | |
| SCHEMBL1391792 | 0.76 | NFKB1 (0.33) | — | |
| SCHEMBL924100 | 0.76 | — | — | |
| SCHEMBL4117400 | 0.76 | — | — | |
| SCHEMBL6581341 | 0.76 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9187455-B2 | Substituted pyridazines as PDE10A inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2015-11-17 | — | — | US | disclosed |
| EP-2398795-B1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-10-15 | — | — | EP | disclosed |
| EP-2373641-B1 | PYRIDAZINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2012-12-19 | — | — | EP | disclosed |
| US-8178538-B2 | Pyridazinones | HOFFMANN-LA ROCHE INC. (US) | 2012-05-15 | — | — | US | disclosed |
| EP-2398795-A1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| EP-2373641-A1 | PYRIDAZINONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010094762-A1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100216793-A1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2010-08-26 | — | — | US | disclosed |
| US-20100152193-A1 | PYRIDAZINONES | HOFFMANN-LA ROCHE, INC. | 2010-06-17 | — | — | US | disclosed |
| WO-2010063610-A1 | PYRIDAZINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-10 | — | — | WO | disclosed |