⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13672292 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL14137832 | 0.71 | — | — | |
| SCHEMBL2778360 | 0.70 | — | — | |
| SCHEMBL6176474 | 0.69 | PRKCA (0.32) | — | |
| SCHEMBL1877496 | 0.69 | — | — | |
| SCHEMBL14137863 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL21051657 | 0.67 | — | — | |
| SCHEMBL21051659 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL27817780 | 0.67 | THRB (0.38) | — | |
| SCHEMBL14026656 | 0.67 | DNM1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0577712-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-01-12 | — | — | EP | disclosed |
| WO-1992016515-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-01 | — | — | WO | disclosed |