⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3117332 | 0.72 | — | — | |
| SCHEMBL5169803 | 0.69 | — | — | |
| SCHEMBL5317426 | 0.69 | — | — | |
| SCHEMBL3258652 | 0.67 | — | — | |
| SCHEMBL3272790 | 0.67 | — | — | |
| SCHEMBL11546673 | 0.67 | — | — | |
| SCHEMBL11178002 | 0.67 | — | — | |
| SCHEMBL1894280 | 0.64 | — | — | |
| SCHEMBL7109 | 0.64 | — | — | |
| SCHEMBL11044832 | 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-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | claimed |
| US-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | disclosed |