⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14064020 | 0.81 | — | — | |
| SCHEMBL12056383 | 0.76 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL27398118 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL7777389 | 0.73 | — | — | |
| SCHEMBL10663888 | 0.73 | — | — | |
| SCHEMBL18520185 | 0.73 | — | — | |
| SCHEMBL16196905 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL15961729 | 0.72 | POLB (0.49) | — | |
| SCHEMBL8775051 | 0.71 | — | — | |
| SCHEMBL25852512 | 0.71 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582696-B1 | 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS | NOVARTIS AG (CH) | 2014-10-22 | — | — | EP | disclosed |
| WO-2011157748-A1 | 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS | NOVARTIS AG (CH) | 2011-12-22 | — | — | WO | disclosed |