⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4554704 | 0.84 | IRAK4 (0.33) | — | |
| SCHEMBL4553736 | 0.77 | HTR2A (0.34) | — | |
| SCHEMBL964921 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL962683 | 0.71 | HTT (0.37) | — | |
| SCHEMBL967732 | 0.69 | HDAC1 (0.32) | — | |
| SCHEMBL963201 | 0.69 | NPC1 (0.41) | — | |
| SCHEMBL966305 | 0.68 | SPR (0.30) | — | |
| SCHEMBL962515 | 0.68 | PPARG (0.39) | — | |
| SCHEMBL962514 | 0.68 | PPARG (0.39) | — | |
| SCHEMBL966303 | 0.67 | CCNC (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |