⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17110290 | 0.89 | — | — | |
| SCHEMBL17110288 | 0.87 | — | — | |
| SCHEMBL17110314 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL17097867 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL17097866 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL17110289 | 0.83 | — | — | |
| SCHEMBL17110313 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL17110284 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL17110295 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL17099145 | 0.83 | HSD11B1 (0.33) | — |
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-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 |