⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124769 | 0.72 | — | — | |
| SCHEMBL3991902 | 0.59 | — | — | |
| SCHEMBL3989229 | 0.57 | — | — | |
| SCHEMBL15757157 | 0.56 | — | — | |
| SCHEMBL2304430 | 0.54 | — | — | |
| SCHEMBL269940 | 0.54 | — | — | |
| SCHEMBL15757264 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL9077611 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL15756684 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL9079834 | 0.54 | — | — |
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-2417132-A2 | HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS | Syngenta Limited (GB) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010116122-A2 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2010-10-14 | — | — | WO | disclosed |