⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4358067 | 0.89 | — | — | |
| SCHEMBL17315798 | 0.88 | — | — | |
| SCHEMBL4351644 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL15821897 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL15822631 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL57071 | 0.77 | — | — | |
| SCHEMBL14152071 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL14125521 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3502697 | 0.72 | — | — | |
| SCHEMBL17315820 | 0.71 | — | — |
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-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |