⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7821165 | 1.00 | — | — | |
| Boric Acid SCHEMBL27935966 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL8760777 | 0.84 | — | — | |
| SCHEMBL1148058 | 0.84 | — | — | |
| SCHEMBL23054517 | 0.82 | — | — | |
| SCHEMBL13811907 | 0.82 | — | — | |
| SCHEMBL10127534 | 0.82 | — | — | |
| SCHEMBL2618664 | 0.82 | — | — | |
| SCHEMBL5621935 | 0.82 | — | — | |
| SCHEMBL9541878 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1160252-B1 | AVERMECTIN DERIVATIVES | KITASATO INST (JP) | 2012-05-02 | — | — | EP | disclosed |
| EP-2332949-A1 | Avermectin derivatives | The Kitasato Institute (JP) | 2011-06-15 | — | — | EP | disclosed |
| US-6605595-B1 | Higher antiparasitic activity | THE KITASATO INSTITUTE (JP) | 2003-08-12 | — | — | US | disclosed |
| EP-1160252-A1 | AVERMECTIN DERIVATIVES | THE KITASATO INSTITUTE (JP) | 2001-12-05 | — | — | EP | disclosed |