⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34523 | 0.69 | — | — | |
| SCHEMBL2026141 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL7156436 | 0.64 | CCR1 (0.35) | — | |
| SCHEMBL1788954 | 0.63 | — | — | |
| SCHEMBL1387765 | 0.63 | — | — | |
| SCHEMBL4073093 | 0.63 | — | — | |
| SCHEMBL1041324 | 0.63 | — | — | |
| SCHEMBL8799446 | 0.63 | — | — | |
| SCHEMBL290421 | 0.63 | — | — | |
| SCHEMBL4470294 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100022559-A1 | BISOXIMES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-01-28 | — | — | US | disclosed |