⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4588713 | 1.00 | — | — | |
| SCHEMBL4193617 | 1.00 | — | — | |
| SCHEMBL4187831 | 1.00 | — | — | |
| SCHEMBL4193163 | 0.93 | — | — | |
| SCHEMBL4193179 | 0.93 | — | — | |
| SCHEMBL4196484 | 0.93 | — | — | |
| SCHEMBL4187709 | 0.92 | — | — | |
| SCHEMBL4186279 | 0.92 | — | — | |
| SCHEMBL4186266 | 0.92 | — | — | |
| SCHEMBL5673154 | 0.92 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018342-A1 | NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE | KLAR ULRICH | 2009-01-15 | — | — | US | disclosed |
| EP-1847540-A1 | Nouveaux dérivés d'épothilone, leur procédé de production et leur utilisation pharmaceutique | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-10-24 | — | — | EP | disclosed |
| EP-1005465-B1 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | BAYER SCHERING PHARMA AG (DE) | 2007-07-25 | — | — | EP | disclosed |
| EP-1005465-A2 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999007692-A2 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |