⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26545914 | 0.83 | — | — | |
| SCHEMBL8866092 | 0.82 | ALDH1A1 (0.54) | — | |
| SCHEMBL16850633 | 0.80 | — | — | |
| SCHEMBL1314765 | 0.78 | — | — | |
| SCHEMBL27767448 | 0.78 | — | — | |
| SCHEMBL3335551 | 0.78 | — | — | |
| SCHEMBL746203 | 0.78 | — | — | |
| SCHEMBL18343424 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL27849415 | 0.75 | — | — | |
| SCHEMBL4768668 | 0.74 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108347937-A | Qu Dai oxadiazoles for preventing and kill off plant pathogenic fungi | 巴斯夫欧洲公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108137533-A | Pyridine compounds for controlling phytopathogenic fungi | 巴斯夫欧洲公司 | 2018-06-08 | — | — | CN | disclosed |