⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7996528 | 1.00 | — | — | |
| SCHEMBL8652386 | 1.00 | — | — | |
| SCHEMBL19621558 | 1.00 | — | — | |
| SCHEMBL8257953 | 1.00 | — | — | |
| SCHEMBL2162387 | 1.00 | — | — | |
| SCHEMBL19001470 | 0.78 | — | — | |
| SCHEMBL19981054 | 0.78 | — | — | |
| SCHEMBL812256 | 0.73 | — | — | |
| SCHEMBL10400711 | 0.72 | — | — | |
| SCHEMBL2358697 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009112077-A1 | PROCESS FOR THE PREPARATION OF EPOTHILONE PRECURSOR COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-17 | — | — | WO | disclosed |