⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3371203 | 0.86 | — | — | |
| SCHEMBL3376146 | 0.73 | — | — | |
| SCHEMBL3373469 | 0.69 | — | — | |
| SCHEMBL9173258 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL27278360 | 0.66 | — | — | |
| SCHEMBL10703093 | 0.66 | PARP1 (0.33) | — | |
| SCHEMBL21295443 | 0.61 | — | — | |
| Bicarbonate SCHEMBL2502633 | 0.61 | TSHR (0.56) | — | |
| Propiolactone SCHEMBL17977 | 0.60 | — | — | |
| Propiolactone SCHEMBL10680620 | 0.60 | — | — |
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 3 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 |
| US-5464502-A | Anionic sulfonate surfactants in the washing and pulping operation | BETZ PAPERCHEM, INC. (US) | 1995-11-07 | — | — | US | disclosed |