⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8052676 | 0.86 | — | — | |
| SCHEMBL9051532 | 0.83 | — | — | |
| SCHEMBL11473898 | 0.80 | — | — | |
| SCHEMBL6438961 | 0.79 | — | — | |
| SCHEMBL9770771 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL9823955 | 0.77 | — | — | |
| SCHEMBL6387768 | 0.77 | PTPRA (0.31) | — | |
| SCHEMBL9634373 | 0.75 | LMNA (0.41) | — | |
| SCHEMBL16098658 | 0.74 | — | — | |
| SCHEMBL10920326 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289366-B1 | FUNGICIDAL COMBINATIONS OF ACTIVE AGENTS | BAYER CROPSCIENCE AG (DE) | 2004-06-30 | — | — | EP | claimed |
| EP-1517610-B1 | FUNGICIDAL COMBINATION OF ACTIVE SUBSTANCES | BAYER CROPSCIENCE AG (DE) | 2008-04-23 | — | — | EP | disclosed |
| EP-1517610-A1 | FUNGICIDAL COMBINATION OF ACTIVE SUBSTANCES | Bayer CropScience AG (DE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000022-A1 | FUNGICIDAL COMBINATION OF ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-12-31 | — | — | WO | disclosed |