⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26198767 | 0.72 | — | — | |
| SCHEMBL28144551 | 0.69 | LMNA (0.54) | — | |
| SCHEMBL26681 | 0.69 | — | — | |
| Methane SCHEMBL28002852 | 0.66 | — | — | |
| SCHEMBL16244164 | 0.66 | — | — | |
| Fluoride SCHEMBL28916783 | 0.66 | — | — | |
| Ethylene SCHEMBL9767677 | 0.66 | — | — | |
| Bicarbonate SCHEMBL7685602 | 0.65 | LMNA (0.41) | — | |
| SCHEMBL126921 | 0.65 | — | — | |
| Acrylic Acid SCHEMBL5841577 | 0.65 | LMNA (0.71) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1389191-A1 | HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES | Bayer CropScience AG (DE) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002092581-A1 | HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2002-11-21 | — | — | WO | disclosed |