⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6600471 | 1.00 | — | — | |
| SCHEMBL2166602 | 0.74 | — | — | |
| SCHEMBL1960492 | 0.74 | — | — | |
| SCHEMBL12402358 | 0.72 | — | — | |
| SCHEMBL684330 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL6137730 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL23908897 | 0.65 | CA1 (0.40) | — | |
| SCHEMBL17293790 | 0.61 | ALDH1A1 (0.60) | — | |
| SCHEMBL8767247 | 0.61 | ALDH1A1 (0.60) | — | |
| SCHEMBL4699417 | 0.61 | — | — |
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-1441731-A1 | PYRIDONE, PYRIDAZONE AND TRIAZONE DERIVATIVES AS LP-PLA2 INHIBITORS | SmithKline Beecham P.L.C. (GB) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003041712-A1 | PYRIDONE, PYRIDAZONE AND TRIAZONE DERIVATIVES AS LP-PLA2 INHIBITORS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-05-22 | — | — | WO | disclosed |