⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27623866 | 0.80 | — | — | |
| SCHEMBL28071640 | 0.70 | — | — | |
| SCHEMBL28043520 | 0.69 | — | — | |
| SCHEMBL8016763 | 0.65 | ARG1 (0.34) | — | |
| SCHEMBL13715066 | 0.65 | ARG1 (0.34) | — | |
| SCHEMBL7981038 | 0.60 | — | — | |
| SCHEMBL13715084 | 0.60 | ARG1 (0.30) | — | |
| SCHEMBL17017140 | 0.59 | — | — | |
| SCHEMBL6051929 | 0.59 | CYP2D6 (0.31) | — | |
| SCHEMBL29085465 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1795193-B | N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors | NOVARTIS AG | 2010-08-18 | — | — | CN | disclosed |
| CN-1795193-A | N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors | NOVARTIS AG (CH) | 2006-06-28 | — | — | CN | disclosed |