⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711223 | 0.85 | — | — | |
| SCHEMBL3075811 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL9815532 | 0.72 | — | — | |
| SCHEMBL1543391 | 0.71 | MGAM (0.31) | — | |
| SCHEMBL6846155 | 0.70 | — | — | |
| SCHEMBL4940736 | 0.69 | — | — | |
| SCHEMBL8844052 | 0.69 | CA1 (0.39) | — | |
| Acetic Acid SCHEMBL3228026 | 0.67 | FFAR3 (0.50) | — | |
| SCHEMBL22822147 | 0.67 | — | — | |
| SCHEMBL23829504 | 0.67 | MME (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1437939-A1 | FUNGICIDAL COMPOSITION BASED ON AT LEAST ONE PYRIDYLMETHYLBENZAMIDE DERIVATIVE AND AT LEAST ONE DITHIOCARBAMATE DERIVATIVE | Bayer CropScience S.A. (FR) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003034824-A1 | FUNGICIDAL COMPOSITION BASED ON AT LEAST ONE PYRIDYLMETHYLBENZAMIDE DERIVATIVE AND AT LEAST ONE DITHIOCARBAMATE DERIVATIVE | BAYER CROPSCIENCE S.A. (FR) | 2003-05-01 | — | — | WO | disclosed |
| EP-0308349-A1 | Choline derivative, process for its preparation and medicaments containing it | LAFON PHARMA S.A. (CH) | 1989-03-22 | — | — | EP | disclosed |