⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11888047 | 0.80 | — | — | |
| SCHEMBL957578 | 0.78 | MEN1 (0.40) | — | |
| SCHEMBL20034197 | 0.76 | — | — | |
| SCHEMBL2619612 | 0.75 | ALOX5 (0.41) | — | |
| SCHEMBL956319 | 0.75 | ALOX5 (0.41) | — | |
| SCHEMBL5283509 | 0.74 | ALOX5 (0.40) | — | |
| SCHEMBL2242512 | 0.74 | ALOX5 (0.47) | — | |
| SCHEMBL256017 | 0.73 | — | — | |
| SCHEMBL10445253 | 0.73 | — | — | |
| SCHEMBL5861835 | 0.72 | ADRA1D (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8163778-B2 | Pyridines as FBPase inhibitors for treatment of diabetes | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| CN-102026978-A | Pyridine compounds | HOFFMANN LA ROCHE | 2011-04-20 | — | — | CN | disclosed |
| US-7868030-B2 | FBPase inhibitors for diabetes | HOFFMANN-LA ROCHE INC. (US) | 2011-01-11 | — | — | US | disclosed |
| EP-2227452-A2 | PYRIDINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| CN-101454301-A | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| WO-2009068468-A2 | PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |
| US-20090143439-A1 | NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES | HOFFMANN-LA ROCHE, INC. | 2009-06-04 | — | — | US | disclosed |
| EP-2032548-A1 | THIAZOLE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007137962-A1 | THIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-06 | — | — | WO | disclosed |
| US-20070281979-A1 | Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents | HOFFMANN-LA ROCHE INC. | 2007-12-06 | — | — | US | disclosed |