⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4624921 | 1.00 | — | — | |
| SCHEMBL16056476 | 0.76 | — | — | |
| SCHEMBL10931645 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL6348804 | 0.71 | GAA (0.37) | — | |
| SCHEMBL6348809 | 0.71 | GAA (0.37) | — | |
| SCHEMBL23998492 | 0.71 | GAA (0.37) | — | |
| SCHEMBL7805815 | 0.70 | GAA (0.35) | — | |
| SCHEMBL571858 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL2339156 | 0.64 | — | — | |
| SCHEMBL2339164 | 0.64 | NR1H2 (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214287-B1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2008-07-02 | — | — | EP | disclosed |
| EP-1214295-B1 | HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES | ASTRAZENECA AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| US-6878712-B1 | Amides as inhibitors for pyruvate dehydrogenase | ASTRAZENECA AB (SE) | 2005-04-12 | — | — | US | disclosed |
| EP-1214296-B1 | SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-24 | — | — | EP | disclosed |
| US-6689909-B1 | TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA | ASTRAZENECA AB (SE) | 2004-02-10 | — | — | US | disclosed |
| US-6552225-B1 | Such as n-(2,3-dichloro-4-(methylaminosulphonyl)phenyl)-3,3,3-trifluoro-2-hydroxy-2 -methylpropanamide; diabetes, obesity, lactic acidaemia | ASTRAZENECA AB (SE) | 2003-04-22 | — | — | US | disclosed |
| EP-1214296-A1 | SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| EP-1214287-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| EP-1214295-A2 | HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001087850-A1 | PYRIDAZINE DERIVATIVE ELEVATING PDHACTIVITY | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |
| WO-2001017955-A2 | HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |
| WO-2001017942-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |
| WO-2001017956-A1 | SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |