⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22621763 | 0.75 | — | — | |
| SCHEMBL28046250 | 0.70 | — | — | |
| SCHEMBL3143115 | 0.65 | — | — | |
| SCHEMBL17599034 | 0.65 | — | — | |
| SCHEMBL875733 | 0.63 | ADH1C (0.31) | — | |
| SCHEMBL28046243 | 0.62 | — | — | |
| SCHEMBL27386360 | 0.58 | — | — | |
| SCHEMBL4118119 | 0.54 | — | — | |
| SCHEMBL22967696 | 0.53 | — | — | |
| Methyl Alcohol SCHEMBL29234879 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100404544-C | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2008-07-23 | — | — | CN | claimed |
| CN-1784416-A | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2006-06-07 | — | — | CN | claimed |
| CN-100404544-C | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2008-07-23 | — | — | CN | disclosed |
| CN-1784416-A | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2006-06-07 | — | — | CN | disclosed |