⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11485752 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL6750234 | 0.75 | — | — | |
| SCHEMBL6750229 | 0.75 | — | — | |
| SCHEMBL3065421 | 0.74 | L3MBTL1 (0.40) | — | |
| SCHEMBL4447826 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL20028552 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL27990655 | 0.70 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL11779620 | 0.70 | — | — | |
| Butane SCHEMBL14813450 | 0.69 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL11684897 | 0.68 | TSHR (0.38) | — |
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-2421832-A1 | N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS | Dow AgroSciences LLC (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010099279-A1 | N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS | DOW AGROSCIENCES LLC (US) | 2010-09-02 | — | — | WO | disclosed |