⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12501529 | 0.84 | — | — | |
| SCHEMBL8893 | 0.82 | ABCB1 (0.36) | — | |
| Hydrogen Peroxide SCHEMBL9193981 | 0.78 | ABCB1 (0.34) | — | |
| SCHEMBL1128109 | 0.74 | — | — | |
| SCHEMBL14155286 | 0.73 | — | — | |
| SCHEMBL12166738 | 0.70 | TRPA1 (0.31) | — | |
| SCHEMBL13083025 | 0.69 | — | — | |
| SCHEMBL2457993 | 0.69 | — | — | |
| SCHEMBL12138109 | 0.69 | — | — | |
| SCHEMBL13818317 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-4350821-A | INSECTICIDES | SHELL OIL COMPANY (US) | 1982-09-21 | — | — | US | disclosed |
| US-4350821-A | INSECTICIDES | SHELL OIL COMPANY (US) | 1982-09-21 | — | — | US | disclosed |
| US-4350820-A | INSECTICIDES | SHELL OIL COMPANY (US) | 1982-09-21 | — | — | US | disclosed |
| US-4350820-A | INSECTICIDES | SHELL OIL COMPANY (US) | 1982-09-21 | — | — | US | disclosed |
| US-4284820-A | 3,6,6-Trimethylbicyclo[3.1.0]hexane derivatives as pyrethrod intermediates | SHELL OIL COMPANY (US) | 1981-08-18 | — | — | US | disclosed |
| US-4284820-A | 3,6,6-Trimethylbicyclo[3.1.0]hexane derivatives as pyrethrod intermediates | SHELL OIL COMPANY (US) | 1981-08-18 | — | — | US | disclosed |