⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9675924 | 0.67 | TAAR1 (0.50) | — | |
| SCHEMBL1631905 | 0.63 | — | — | |
| SCHEMBL8635221 | 0.63 | — | — | |
| SCHEMBL9457786 | 0.61 | GPR52 (0.35) | — | |
| SCHEMBL2702829 | 0.61 | GPR52 (0.35) | — | |
| SCHEMBL1073557 | 0.60 | GPR52 (0.35) | — | |
| SCHEMBL1073558 | 0.60 | GPR52 (0.35) | — | |
| SCHEMBL421917 | 0.56 | — | — | |
| SCHEMBL242590 | 0.56 | — | — | |
| SCHEMBL59994 | 0.56 | — | — |
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 |