⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21934743 | 0.69 | THRA (0.33) | — | |
| SCHEMBL5824159 | 0.68 | — | — | |
| SCHEMBL5313984 | 0.68 | CSNK2A1 (0.30) | — | |
| SCHEMBL13369937 | 0.65 | — | — | |
| SCHEMBL13369718 | 0.64 | LOX (0.30) | — | |
| SCHEMBL3272739 | 0.63 | — | — | |
| SCHEMBL5186757 | 0.63 | — | — | |
| SCHEMBL874456 | 0.60 | PDE4A (0.36) | — | |
| SCHEMBL5808267 | 0.59 | PTGS1 (0.31) | — | |
| SCHEMBL2448655 | 0.59 | HTR3A (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007058504-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES, LTD. (KR) | 2007-05-24 | — | — | WO | disclosed |