⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2920738 | 0.69 | — | — | |
| SCHEMBL27393 | 0.62 | — | — | |
| SCHEMBL2920069 | 0.62 | — | — | |
| SCHEMBL28733048 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL23244605 | 0.60 | — | — | |
| SCHEMBL31636743 | 0.60 | — | — | |
| SCHEMBL3635526 | 0.60 | — | — | |
| Bromide SCHEMBL17824162 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7545996 | 0.60 | — | — | |
| Potassium SCHEMBL31609876 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | disclosed |