⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8705134 | 0.72 | MAPK1 (0.30) | — | |
| SCHEMBL7751809 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL7751802 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL17806022 | 0.68 | — | — | |
| SCHEMBL6919917 | 0.67 | — | — | |
| SCHEMBL91423 | 0.67 | — | — | |
| SCHEMBL8300584 | 0.67 | — | — | |
| SCHEMBL8706358 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL18951911 | 0.65 | — | — | |
| SCHEMBL20387096 | 0.64 | — | — |
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-0227932-B1 | NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | AMERICAN CYANAMID COMPANY (US) | 1993-01-13 | — | — | EP | disclosed |