⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4290776 | 0.91 | — | — | |
| SCHEMBL4282640 | 0.88 | — | — | |
| SCHEMBL4292507 | 0.87 | — | — | |
| SCHEMBL4291011 | 0.85 | — | — | |
| SCHEMBL4286011 | 0.81 | — | — | |
| SCHEMBL4286087 | 0.80 | — | — | |
| SCHEMBL4289363 | 0.80 | — | — | |
| SCHEMBL4282602 | 0.78 | — | — | |
| SCHEMBL3157387 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL13055879 | 0.75 | GAA (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 |
|---|---|---|---|---|---|---|---|
| WO-2009158258-A1 | HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-30 | — | — | WO | claimed |
| WO-2009158258-A1 | HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-30 | — | — | WO | disclosed |