⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20300407 | 0.73 | — | — | |
| SCHEMBL4048596 | 0.73 | OGA (0.34) | — | |
| SCHEMBL755868 | 0.72 | — | — | |
| SCHEMBL275602 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL10475874 | 0.70 | GRM1 (0.35) | — | |
| SCHEMBL5229555 | 0.70 | — | — | |
| SCHEMBL4150760 | 0.69 | RBP4 (0.38) | — | |
| SCHEMBL4750604 | 0.69 | DRD2 (0.33) | — | |
| SCHEMBL29149797 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL6769067 | 0.66 | MCL1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1732903-B1 | TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |