⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL980720 | 0.86 | PDE2A (0.33) | — | |
| SCHEMBL1609844 | 0.82 | KIF11 (0.38) | — | |
| SCHEMBL979277 | 0.81 | TACR1 (0.32) | — | |
| SCHEMBL1610695 | 0.81 | HTT (0.39) | — | |
| SCHEMBL978451 | 0.79 | NPC1 (0.38) | — | |
| SCHEMBL980675 | 0.78 | PDE2A (0.35) | — | |
| SCHEMBL1610360 | 0.77 | CYP11B1 (0.36) | — | |
| SCHEMBL3362297 | 0.77 | PDE3B (0.34) | — | |
| SCHEMBL1609805 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL979043 | 0.77 | PDE2A (0.35) | — |
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 |