⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14889 | 1.00 | — | — | |
| Charcoal, Activated SCHEMBL6386487 | 0.98 | — | — | |
| Trimethylammonium SCHEMBL29210272 | 0.89 | PDE4A (0.34) | — | |
| Acetic Acid SCHEMBL31135264 | 0.88 | PDE4A (0.33) | — | |
| SCHEMBL16139617 | 0.81 | — | — | |
| SCHEMBL14749799 | 0.81 | — | — | |
| SCHEMBL3000026 | 0.77 | — | — | |
| SCHEMBL16139611 | 0.77 | — | — | |
| SCHEMBL14749985 | 0.77 | — | — | |
| SCHEMBL3000029 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013031922-A1 | PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | 日本たばこ産業株式会社 (JP) | 2013-03-07 | — | — | WO | disclosed |