⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17049004 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL28409168 | 0.71 | — | — | |
| SCHEMBL8708167 | 0.68 | PYGL (0.31) | — | |
| SCHEMBL4406432 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL1536298 | 0.64 | GRM2 (0.35) | — | |
| SCHEMBL20599619 | 0.64 | — | — | |
| SCHEMBL15031561 | 0.64 | — | — | |
| SCHEMBL165219 | 0.64 | CYP2C19 (0.34) | — | |
| SCHEMBL17049038 | 0.61 | MEN1 (0.34) | — | |
| SCHEMBL28472473 | 0.61 | CYP2C19 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-9365522-B2 | Pyrazole amide derivative | AMGEN INC. (US) | 2016-06-14 | — | — | US | disclosed |
| US-20150266824-A1 | Pyrazole Amide Derivative | TEIJIN LIMITED (JP) | 2015-09-24 | — | — | US | disclosed |