⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL969653 | 0.78 | — | — | |
| SCHEMBL8658140 | 0.74 | — | — | |
| SCHEMBL29163817 | 0.74 | GOT1 (0.65) | — | |
| SCHEMBL28882353 | 0.72 | — | — | |
| SCHEMBL8985129 | 0.72 | MEN1 (0.41) | — | |
| SCHEMBL84649 | 0.70 | — | — | |
| SCHEMBL11636276 | 0.70 | — | — | |
| SCHEMBL697154 | 0.70 | — | — | |
| SCHEMBL976075 | 0.70 | — | — | |
| SCHEMBL16306329 | 0.70 | — | — |
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-3319943-B1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-06-26 | — | — | EP | disclosed |
| US-10239859-B2 | Nitrogen-containing heterocycles as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-03-26 | — | — | US | disclosed |
| US-20180201600-A1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-07-19 | — | — | US | disclosed |
| EP-3319943-A1 | NITROGENOUS HETEROCYCLES AS A PESTICIDE | Bayer CropScience Aktiengesellschaft (DE) | 2018-05-16 | — | — | EP | disclosed |