⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4484425 | 1.00 | — | — | |
| SCHEMBL4481671 | 1.00 | — | — | |
| SCHEMBL1549032 | 0.72 | — | — | |
| SCHEMBL4478458 | 0.69 | — | — | |
| SCHEMBL4484600 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL4493430 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL4492627 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL11968322 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL27258555 | 0.63 | PDE10A (0.31) | — | |
| SCHEMBL4496996 | 0.56 | ALDH1A1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044034-B1 | ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) | HOFFMANN LA ROCHE (CH) | 2012-08-22 | — | — | EP | claimed |
| US-7547697-B2 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-20080009499-A1 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | claimed |
| EP-2044034-B1 | ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) | HOFFMANN LA ROCHE (CH) | 2012-08-22 | — | — | EP | disclosed |
| US-7547697-B2 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-20080009499-A1 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | disclosed |