⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5657030 | 0.88 | CES1 (0.30) | — | |
| SCHEMBL4884193 | 0.73 | CACNA1B (0.33) | — | |
| SCHEMBL7888667 | 0.70 | HSP90AA1 (0.34) | — | |
| SCHEMBL2363323 | 0.69 | PGR (0.37) | — | |
| SCHEMBL19139747 | 0.67 | — | — | |
| SCHEMBL14587432 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL8648027 | 0.64 | GRIN2D (0.35) | — | |
| SCHEMBL9368569 | 0.64 | NPSR1 (0.32) | — | |
| SCHEMBL16673811 | 0.63 | BACE1 (0.34) | — | |
| SCHEMBL3369614 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7183238-B2 | [1,2]-oxazine-3,5-diones | BAYER CROPSCIENCE AG (DE) | 2007-02-27 | — | — | US | disclosed |
| US-20050070707-A1 | microbicides, pesticides and herbicides | BAYER CROPSCIENCE AG (DE) | 2005-03-31 | — | — | US | disclosed |