⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL213131 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL18880062 | 0.67 | — | — | |
| SCHEMBL8692424 | 0.59 | MAPT (0.31) | — | |
| SCHEMBL11009891 | 0.59 | — | — | |
| SCHEMBL3698830 | 0.58 | — | — | |
| SCHEMBL5530226 | 0.58 | MAPT (0.31) | — | |
| SCHEMBL18685897 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL6815527 | 0.57 | MAPT (0.31) | — | |
| SCHEMBL29883035 | 0.56 | — | — | |
| SCHEMBL15955539 | 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-113784958-B | Oxadiazole compounds for controlling or preventing phytopathogenic fungi | PI工业有限公司 | 2024-04-30 | — | — | CN | disclosed |