⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8635487 | 1.00 | — | — | |
| SCHEMBL919311 | 0.76 | AOC3 (0.39) | — | |
| SCHEMBL919309 | 0.76 | AOC3 (0.39) | — | |
| SCHEMBL130932 | 0.75 | GABRP (0.34) | — | |
| SCHEMBL131609 | 0.75 | — | — | |
| SCHEMBL10638072 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL128641 | 0.74 | CYP2D6 (0.42) | — | |
| SCHEMBL6352953 | 0.74 | — | — | |
| SCHEMBL2220469 | 0.73 | CYP3A4 (0.39) | — | |
| SCHEMBL10388381 | 0.71 | CYP3A4 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0577712-B1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | DU PONT (US) | 1998-07-29 | — | — | EP | disclosed |