⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3376131 | 0.73 | — | — | |
| SCHEMBL3371203 | 0.67 | — | — | |
| SCHEMBL15902275 | 0.62 | — | — | |
| SCHEMBL3679863 | 0.62 | HCAR2 (0.37) | — | |
| Mellitic Acid SCHEMBL23507 | 0.54 | CYP1A2 (0.50) | — | |
| Mellitic Acid SCHEMBL22971 | 0.54 | CYP1A2 (0.50) | — | |
| SCHEMBL9635649 | 0.54 | CA1 (0.40) | — | |
| Mellitic Acid SCHEMBL28758936 | 0.51 | CYP1A2 (0.47) | — | |
| Mellitic Acid SCHEMBL9407783 | 0.51 | CYP1A2 (0.47) | — | |
| Bicarbonate SCHEMBL15271537 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |