⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL978710 | 0.87 | — | — | |
| SCHEMBL980527 | 0.85 | PDE3B (0.31) | — | |
| SCHEMBL980463 | 0.85 | — | — | |
| SCHEMBL1859165 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL2523822 | 0.82 | — | — | |
| SCHEMBL2522264 | 0.82 | — | — | |
| SCHEMBL1860700 | 0.82 | AKR1B1 (0.33) | — | |
| SCHEMBL2524287 | 0.81 | SLC6A4 (0.30) | — | |
| SCHEMBL1857922 | 0.81 | PTGES (0.38) | — | |
| SCHEMBL27964625 | 0.80 | RECQL (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8242283-B2 | Isoxazoline compound and pesticide | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-08-14 | — | — | US | disclosed |
| US-20110172414-A1 | ISOXAZOLINE COMPOUND AND PESTICIDE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7947715-B2 | Isoxazoline compound and pesticide | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2011-05-24 | — | — | US | disclosed |
| US-20090156643-A1 | Substituted isoxazoline compound and pesticide | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2009-06-18 | — | — | US | disclosed |