⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14767324 | 0.88 | — | — | |
| SCHEMBL13548406 | 0.74 | — | — | |
| SCHEMBL21742988 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL25668293 | 0.73 | EGFR (0.30) | — | |
| SCHEMBL24525250 | 0.70 | — | — | |
| SCHEMBL15128113 | 0.67 | — | — | |
| SCHEMBL21757902 | 0.64 | — | — | |
| SCHEMBL7062222 | 0.63 | CD44 (0.48) | — | |
| SCHEMBL21207833 | 0.63 | SLC6A4 (0.37) | — | |
| SCHEMBL15701538 | 0.62 | CD44 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2332914-B1 | Substituted 4-amino-picolinic acids and their use as herbicides | DOW AGROSCIENCES LLC (US) | 2013-03-13 | — | — | EP | disclosed |