⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27996212 | 0.72 | — | — | |
| SCHEMBL514086 | 0.72 | — | — | |
| SCHEMBL4511167 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28134136 | 0.70 | — | — | |
| SCHEMBL826628 | 0.69 | — | — | |
| SCHEMBL1766300 | 0.67 | — | — | |
| SCHEMBL4145831 | 0.67 | — | — | |
| SCHEMBL513894 | 0.65 | — | — | |
| SCHEMBL4512766 | 0.65 | — | — | |
| SCHEMBL2394147 | 0.64 | PTPN7 (0.39) | — |
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 |