⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL644462 | 0.78 | — | — | |
| SCHEMBL3541272 | 0.76 | HSD17B10 (0.31) | — | |
| SCHEMBL448720 | 0.76 | HSD17B10 (0.31) | — | |
| SCHEMBL16611140 | 0.74 | — | — | |
| SCHEMBL2696 | 0.73 | — | — | |
| SCHEMBL22440292 | 0.70 | CA12 (0.30) | — | |
| SCHEMBL1164351 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL14582189 | 0.70 | RECQL (0.48) | — | |
| SCHEMBL644944 | 0.70 | RECQL (0.48) | — | |
| SCHEMBL29458086 | 0.69 | TRPA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025052333-A1 | NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE | PI INDUSTRIES LTD. (IN) | 2025-03-13 | — | — | WO | disclosed |
| EP-3687311-A1 | AMIDES FOR GENERATING A TRIGEMINAL EFFECT | Symrise AG (DE) | 2020-08-05 | — | — | EP | disclosed |