⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25440360 | 0.75 | — | — | |
| SCHEMBL23559158 | 0.63 | CCNB2 (0.33) | — | |
| SCHEMBL23403976 | 0.63 | — | — | |
| SCHEMBL18700499 | 0.62 | — | — | |
| SCHEMBL18700483 | 0.62 | APLNR (0.31) | — | |
| SCHEMBL18700485 | 0.62 | — | — | |
| SCHEMBL24221538 | 0.61 | — | — | |
| SCHEMBL15930125 | 0.60 | — | — | |
| SCHEMBL25469888 | 0.59 | NR1I2 (0.33) | — | |
| SCHEMBL31366835 | 0.59 | AKR1C3 (0.35) | — |
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 |