⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2767649 | 1.00 | — | — | |
| SCHEMBL687735 | 0.98 | — | — | |
| SCHEMBL7596747 | 0.94 | — | — | |
| SCHEMBL236145 | 0.85 | CYP2A13 (0.33) | — | |
| SCHEMBL988606 | 0.80 | — | — | |
| SCHEMBL1744327 | 0.80 | — | — | |
| SCHEMBL3258955 | 0.80 | — | — | |
| SCHEMBL5341015 | 0.72 | — | — | |
| SCHEMBL11150505 | 0.71 | — | — | |
| SCHEMBL4766945 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720854-A1 | PHTHALZINONE DERIVATIVES AS PDE4 INHIBITORS | Altana Pharma AG (DE) | 2006-11-15 | — | — | EP | claimed |
| WO-2005075457-A1 | PHTHALAZINONE-DERIVATIVES AS PDE4 INHIBITORS | ALTANA PHARMA AG (DE) | 2005-08-18 | — | — | WO | claimed |
| US-8383666-B2 | Pyrrole derivatives, preparation of same and therapeutic application thereof | SANOFI (FR) | 2013-02-26 | — | — | US | disclosed |
| US-20110144157-A1 | PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | US | disclosed |
| US-20070248624-A1 | (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors | JANSSEN SCIENCES IRELAND UC (IE) | 2007-10-25 | — | — | US | disclosed |
| EP-1720854-A1 | PHTHALZINONE DERIVATIVES AS PDE4 INHIBITORS | Altana Pharma AG (DE) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005075457-A1 | PHTHALAZINONE-DERIVATIVES AS PDE4 INHIBITORS | ALTANA PHARMA AG (DE) | 2005-08-18 | — | — | WO | disclosed |
| EP-0435828-A1 | Piperidine-triazine compounds for use as stabilizers for organic materials | CIBA-GEIGY AG (CH) | 1991-07-03 | — | — | EP | disclosed |