⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9845431 | 0.94 | PPOX (0.35) | — | |
| SCHEMBL9845461 | 0.92 | PPOX (0.36) | — | |
| SCHEMBL9845438 | 0.92 | PPOX (0.34) | — | |
| SCHEMBL9845429 | 0.91 | PPOX (0.33) | — | |
| SCHEMBL11201432 | 0.79 | PPOX (0.45) | — | |
| SCHEMBL9765533 | 0.78 | — | — | |
| SCHEMBL9845434 | 0.78 | PPOX (0.38) | — | |
| SCHEMBL9845427 | 0.77 | PPOX (0.39) | — | |
| SCHEMBL9845440 | 0.77 | GRM7 (0.41) | — | |
| SCHEMBL9845421 | 0.76 | GRM7 (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-0420810-A2 | Herbicidal agents | CIBA-GEIGY AG (CH) | 1991-04-03 | — | — | EP | claimed |
| EP-0420810-A2 | Herbicidal agents | CIBA-GEIGY AG (CH) | 1991-04-03 | — | — | EP | disclosed |