⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616953 | 0.79 | — | — | |
| SCHEMBL2446294 | 0.71 | — | — | |
| SCHEMBL2446295 | 0.71 | — | — | |
| SCHEMBL12296695 | 0.70 | — | — | |
| SCHEMBL2119773 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL315431 | 0.69 | — | — | |
| SCHEMBL83926 | 0.69 | — | — | |
| SCHEMBL83927 | 0.69 | — | — | |
| SCHEMBL22839977 | 0.67 | — | — | |
| SCHEMBL6947313 | 0.67 | — | — |
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-1458237-B1 | HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES | BASF AG (DE) | 2006-04-12 | — | — | EP | disclosed |
| EP-1041881-B1 | FUNGICIDE MIXTURES BASED ON PYRIDINECARBOXAMIDES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |