⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4206874 | 1.00 | — | — | |
| SCHEMBL4032106 | 1.00 | — | — | |
| SCHEMBL4206871 | 1.00 | — | — | |
| SCHEMBL4032100 | 1.00 | — | — | |
| SCHEMBL4206873 | 1.00 | — | — | |
| SCHEMBL7074400 | 0.89 | — | — | |
| SCHEMBL6598411 | 0.89 | — | — | |
| SCHEMBL7690402 | 0.89 | — | — | |
| SCHEMBL7074409 | 0.89 | — | — | |
| SCHEMBL6598414 | 0.89 | — | — |
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-1358144-B1 | EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES | R & D BIOPHARMACEUTICALS (DE) | 2006-12-27 | — | — | EP | disclosed |