⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3534224 | 0.81 | — | — | |
| SCHEMBL6437665 | 0.79 | MAPT (0.46) | — | |
| SCHEMBL147149 | 0.77 | — | — | |
| SCHEMBL5004859 | 0.75 | — | — | |
| SCHEMBL1170262 | 0.75 | — | — | |
| SCHEMBL8452184 | 0.75 | — | — | |
| SCHEMBL13715998 | 0.75 | — | — | |
| SCHEMBL9769190 | 0.74 | LTB4R (0.33) | — | |
| SCHEMBL17790231 | 0.71 | — | — | |
| SCHEMBL13983569 | 0.71 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2086960-B1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2014-03-05 | — | — | EP | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-7741354-B2 | Inhibitors of glutaminyl cyclase | PROBIODRUG AG (DE) | 2010-06-22 | — | — | US | disclosed |
| EP-2086960-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | Probiodrug AG (DE) | 2009-08-12 | — | — | EP | disclosed |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-20080207715-A1 | Novel Inhibitors of Glutaminyl Cyclase | PROBIODRUG AG (DE) | 2008-08-28 | — | — | US | disclosed |
| WO-2008055950-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2008-05-15 | — | — | WO | disclosed |