⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31326822 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL9847664 | 0.67 | — | — | |
| SCHEMBL6562332 | 0.59 | — | — | |
| SCHEMBL31443064 | 0.57 | — | — | |
| SCHEMBL4883838 | 0.57 | — | — | |
| SCHEMBL30280966 | 0.56 | — | — | |
| SCHEMBL8780160 | 0.55 | — | — | |
| SCHEMBL801782 | 0.55 | S100A4 (0.36) | — | |
| SCHEMBL10590416 | 0.52 | ALPL (0.30) | — | |
| SCHEMBL5115934 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025052333-A1 | NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE | PI INDUSTRIES LTD. (IN) | 2025-03-13 | — | — | WO | disclosed |