⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1864476 | 0.91 | RECQL (0.30) | — | |
| SCHEMBL978710 | 0.89 | — | — | |
| SCHEMBL980752 | 0.86 | CA1 (0.31) | — | |
| SCHEMBL979491 | 0.84 | HSD11B1 (0.35) | — | |
| SCHEMBL1466579 | 0.83 | RECQL (0.31) | — | |
| SCHEMBL981082 | 0.83 | HPGD (0.32) | — | |
| SCHEMBL2523759 | 0.82 | — | — | |
| SCHEMBL2523822 | 0.82 | — | — | |
| SCHEMBL738705 | 0.81 | — | — | |
| SCHEMBL1305787 | 0.81 | CA1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318757-B2 | Substituted isoxazoline compound and pest control agent | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20110009438-A1 | SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2011-01-13 | — | — | US | disclosed |
| EP-2199287-A1 | SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT | Nissan Chemical Industries, Ltd. (JP) | 2010-06-23 | — | — | EP | disclosed |