⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL964922 | 1.00 | — | — | |
| SCHEMBL963163 | 0.89 | HTT (0.32) | — | |
| SCHEMBL963160 | 0.89 | HTT (0.32) | — | |
| SCHEMBL963832 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL963829 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL962206 | 0.86 | PKMYT1 (0.31) | — | |
| SCHEMBL962204 | 0.86 | PKMYT1 (0.31) | — | |
| SCHEMBL962683 | 0.84 | HTT (0.37) | — | |
| SCHEMBL964353 | 0.83 | L3MBTL1 (0.39) | — | |
| SCHEMBL964355 | 0.83 | L3MBTL1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110009384-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-01-13 | — | — | US | disclosed |
| EP-2118066-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | Takeda Pharmaceutical Company Limited (JP) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008099794-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-21 | — | — | WO | disclosed |
| US-20080194617-A1 | Fused ring compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-14 | — | — | US | disclosed |