⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8162340 | 1.00 | — | — | |
| SCHEMBL4197821 | 1.00 | — | — | |
| SCHEMBL4201400 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL4186322 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL9350370 | 0.77 | — | — | |
| SCHEMBL4589725 | 0.76 | — | — | |
| SCHEMBL4589729 | 0.76 | — | — | |
| SCHEMBL9405647 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL9405664 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL16314440 | 0.73 | MEN1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20060040990-A1 | Epothilone derivatives, process for their production, and their pharmaceutical use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-02-23 | — | — | US | disclosed |
| US-7001916-B1 | Epothilon derivatives, method for the production and the use thereof as pharmaceuticals | SCHERING, AG (DE) | 2006-02-21 | — | — | US | disclosed |
| EP-1161430-A2 | EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000047584-A2 | EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-17 | — | — | WO | disclosed |