⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7103301 | 1.00 | — | — | |
| SCHEMBL7900911 | 0.71 | — | — | |
| SCHEMBL7682477 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL7100639 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL7670982 | 0.69 | — | — | |
| SCHEMBL29137888 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL157478 | 0.68 | — | — | |
| SCHEMBL16513450 | 0.67 | — | — | |
| Water SCHEMBL2817750 | 0.65 | — | — | |
| Fluoride SCHEMBL5015784 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6410741-B1 | INSECTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-25 | — | — | US | disclosed |
| US-6072081-A | Optically active bisoxazoline compounds, production and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-06-06 | — | — | US | disclosed |