⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4497056 | 1.00 | — | — | |
| SCHEMBL4481343 | 1.00 | — | — | |
| SCHEMBL2326043 | 0.75 | BCHE (0.32) | — | |
| SCHEMBL4493539 | 0.72 | — | — | |
| SCHEMBL4480399 | 0.65 | — | — | |
| SCHEMBL6559739 | 0.55 | — | — | |
| SCHEMBL12125884 | 0.54 | BCHE (0.31) | — | |
| SCHEMBL25686686 | 0.54 | CNR2 (0.31) | — | |
| SCHEMBL15763767 | 0.54 | ACHE (0.33) | — | |
| SCHEMBL13310539 | 0.53 | SSTR4 (0.40) | — |
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 3 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 | 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 |