⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4630014 | 0.93 | — | — | |
| Cyanide SCHEMBL28136520 | 0.74 | — | — | |
| SCHEMBL28285613 | 0.65 | — | — | |
| SCHEMBL27320806 | 0.65 | — | — | |
| SCHEMBL27504389 | 0.65 | — | — | |
| SCHEMBL7659962 | 0.65 | — | — | |
| SCHEMBL27441941 | 0.65 | — | — | |
| SCHEMBL34471497 | 0.61 | — | — | |
| SCHEMBL7659827 | 0.61 | — | — | |
| SCHEMBL27294533 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109068653-A | The method for preparing 4- alkoxy -3- hydroxy-picolinic acid | 美国陶氏益农公司 | 2018-12-21 | — | — | CN | disclosed |