⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17146534 | 0.78 | — | — | |
| SCHEMBL20917640 | 0.77 | — | — | |
| SCHEMBL2426993 | 0.77 | — | — | |
| SCHEMBL10233655 | 0.77 | PDE2A (0.31) | — | |
| SCHEMBL14621053 | 0.76 | IDO1 (0.34) | — | |
| SCHEMBL7589331 | 0.73 | — | — | |
| SCHEMBL26685318 | 0.71 | OPRM1 (0.30) | — | |
| SCHEMBL7766138 | 0.69 | SHBG (0.39) | — | |
| SCHEMBL3209889 | 0.67 | TRPA1 (0.30) | — | |
| SCHEMBL8675498 | 0.67 | TRPA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824514-A1 | DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-02-25 | — | — | EP | disclosed |