⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL282711 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27746994 | 0.97 | — | — | |
| SCHEMBL31274088 | 0.92 | — | — | |
| SCHEMBL23034417 | 0.92 | — | — | |
| SCHEMBL35605 | 0.92 | — | — | |
| SCHEMBL3411687 | 0.90 | SLC6A4 (0.31) | — | |
| Iodide SCHEMBL14877122 | 0.90 | SLC6A4 (0.31) | — | |
| Bromide SCHEMBL14876845 | 0.90 | SLC6A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1790308 | 0.90 | SLC6A4 (0.31) | — | |
| SCHEMBL284166 | 0.90 | SLC6A4 (0.31) | — |
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-2018051254-A1 | CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-22 | — | — | WO | disclosed |