⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16796162 | 0.72 | LMNA (0.46) | — | |
| SCHEMBL14048734 | 0.69 | DHFR (0.38) | — | |
| SCHEMBL31691208 | 0.68 | DPP4 (0.45) | — | |
| SCHEMBL29638205 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL29638209 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL5038760 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL16796089 | 0.65 | PDXK (0.31) | — | |
| SCHEMBL30891087 | 0.65 | PDXK (0.31) | — | |
| SCHEMBL27430470 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL6218700 | 0.62 | AURKA (0.41) | — |
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-2004037159-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM | OBETHERAPY BIOTECHNOLOGY (FR) | 2004-05-06 | — | — | WO | disclosed |