⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21872815 | 0.73 | — | — | |
| SCHEMBL19930429 | 0.69 | — | — | |
| SCHEMBL11599837 | 0.64 | — | — | |
| SCHEMBL12326851 | 0.59 | — | — | |
| SCHEMBL6719976 | 0.57 | — | — | |
| SCHEMBL6970467 | 0.57 | — | — | |
| SCHEMBL612192 | 0.57 | — | — | |
| SCHEMBL4013459 | 0.57 | — | — | |
| SCHEMBL6491085 | 0.56 | — | — | |
| SCHEMBL10530939 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105949137-A | Method for synthesizing prothioconazole and optical active body thereof and intermediate | 泸州东方农化有限公司 | 2016-09-21 | — | — | CN | disclosed |