⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11585439 | 1.00 | — | — | |
| SCHEMBL3408372 | 0.75 | — | — | |
| SCHEMBL762744 | 0.75 | — | — | |
| SCHEMBL9965147 | 0.75 | — | — | |
| SCHEMBL21567763 | 0.73 | — | — | |
| SCHEMBL7612224 | 0.73 | — | — | |
| SCHEMBL18964394 | 0.73 | — | — | |
| SCHEMBL1164270 | 0.73 | — | — | |
| SCHEMBL13779641 | 0.73 | — | — | |
| SCHEMBL14240875 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0004493-A1 | Ethers whose organic moieties have asymmetric atoms, methods for their preparation and their use for the resolution of alcohols, phenols or certain compounds with a lactone structure | ROUSSEL-UCLAF (FR) | 1979-10-03 | — | — | EP | disclosed |