⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6015038 | 0.97 | — | — | |
| SCHEMBL458890 | 0.77 | — | — | |
| SCHEMBL12942247 | 0.74 | — | — | |
| SCHEMBL27365602 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL6736948 | 0.70 | — | — | |
| SCHEMBL1553520 | 0.69 | — | — | |
| SCHEMBL18818952 | 0.69 | — | — | |
| SCHEMBL6358399 | 0.69 | — | — | |
| SCHEMBL13083835 | 0.69 | — | — | |
| SCHEMBL24188740 | 0.67 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1871746-A1 | SUBSTITUTED N-[YPYRIMIDIN-2-YLMETHYL]CARBOXAMIDES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience Aktiengesellschaft (DE) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006105862-A1 | SUBSTITUTED N-[PYRIMIDIN-2-YLMETHYL]CARBOXAMIDES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2006-10-12 | — | — | WO | disclosed |