⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2781581 | 0.84 | — | — | |
| SCHEMBL4724408 | 0.67 | — | — | |
| SCHEMBL948056 | 0.67 | — | — | |
| SCHEMBL4723751 | 0.66 | EPHX1 (0.33) | — | |
| SCHEMBL4178195 | 0.65 | GAA (0.33) | — | |
| SCHEMBL16171239 | 0.63 | MDM2 (0.41) | — | |
| SCHEMBL2600363 | 0.63 | MDM2 (0.41) | — | |
| SCHEMBL681668 | 0.63 | — | — | |
| SCHEMBL18458286 | 0.63 | MDM2 (0.41) | — | |
| SCHEMBL4720621 | 0.62 | KDM4E (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1813610-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | WAKUNAGA PHARMA CO LTD (JP) | 2010-09-08 | — | — | EP | disclosed |
| US-7713997-B2 | Pyridonecarboxylic acid derivatives or salts thereof | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2010-05-11 | — | — | US | disclosed |
| US-20090149440-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | WAKUNAGA PHARMACEUTICAL CO., LTD (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-1813610-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-01 | — | — | EP | disclosed |