⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6138045 | 0.87 | — | — | |
| SCHEMBL5888096 | 0.83 | OPRM1 (0.33) | — | |
| SCHEMBL11315166 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL9561693 | 0.82 | CHRNA7 (0.34) | — | |
| SCHEMBL13629234 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL10842235 | 0.70 | CHRNA7 (0.33) | — | |
| SCHEMBL24995501 | 0.68 | KDM1A (0.40) | — | |
| SCHEMBL6698499 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL6138297 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL5255004 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8097610-B2 | Derivative having PPAR agonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-01-17 | — | — | US | disclosed |
| US-8097610-B2 | Derivative having PPAR agonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-01-17 | — | — | US | disclosed |
| US-8097610-B2 | Derivative having PPAR agonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-01-17 | — | — | US | disclosed |
| US-20090286974-A1 | Derivative having ppar agonistic activity | SHIONOGI & CO., LTD. (JP) | 2009-11-19 | — | — | US | disclosed |
| US-20090286974-A1 | Derivative having ppar agonistic activity | SHIONOGI & CO., LTD. (JP) | 2009-11-19 | — | — | US | disclosed |
| US-20090286974-A1 | Derivative having ppar agonistic activity | SHIONOGI & CO., LTD. (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-1939189-A1 | DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2008-07-02 | — | — | EP | disclosed |
| EP-1939189-A1 | DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2008-07-02 | — | — | EP | disclosed |