⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13303922 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL2844245 | 0.78 | BACE1 (0.33) | — | |
| SCHEMBL2970627 | 0.75 | PDE4B (0.42) | — | |
| SCHEMBL6155969 | 0.65 | IDO1 (0.38) | — | |
| SCHEMBL1367295 | 0.64 | IDO1 (0.38) | — | |
| SCHEMBL31573374 | 0.64 | TKT (0.32) | — | |
| SCHEMBL23287631 | 0.63 | IDO1 (0.43) | — | |
| SCHEMBL6438766 | 0.63 | IDO1 (0.53) | — | |
| SCHEMBL2954693 | 0.63 | PDE4B (0.47) | — | |
| SCHEMBL2960004 | 0.63 | PDE4B (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100160335-A1 | PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | KYORIN PHARMACEUTICAL CO., LTD. | 2010-06-24 | — | — | US | disclosed |
| US-20100130738-A1 | PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2168959-A1 | PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-2168960-A1 | PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |