⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9325766 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL126947 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL29044089 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL28378968 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL63935 | 0.78 | — | — | |
| SCHEMBL129488 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL17579798 | 0.77 | — | — | |
| SCHEMBL26086515 | 0.77 | MGAM (0.31) | — | |
| SCHEMBL11765164 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL10414434 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| EP-0028717-B1 | 6,7-BENZOMORPHAN DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ACF CHEMIEFARMA NV (NL) | 1984-08-15 | — | — | EP | disclosed |
| US-4425353-A | Analgesic 5-oxygenated-6,7-benzomorphan derivatives | ACF CHEMIEFARMA NV (NL) | 1984-01-10 | — | — | US | disclosed |
| US-4406904-A | Method of inhibiting luteinizing hormone secretion with 6,7-benzomorphan derivatives | ACF CHEMIEFARMA NV (NL) | 1983-09-27 | — | — | US | disclosed |
| EP-0028717-A1 | 6,7-Benzomorphan derivatives, processes for their production, pharmaceutical compositions containing said derivatives and their use as pharmaceuticals | ACF CHEMIEFARMA NV (NL) | 1981-05-20 | — | — | EP | disclosed |