⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4197056 | 1.00 | — | — | |
| SCHEMBL2384117 | 0.91 | FAAH (0.31) | — | |
| SCHEMBL2384111 | 0.91 | FAAH (0.31) | — | |
| SCHEMBL6598165 | 0.88 | — | — | |
| SCHEMBL3866566 | 0.88 | — | — | |
| SCHEMBL4197902 | 0.88 | — | — | |
| SCHEMBL6602250 | 0.87 | — | — | |
| SCHEMBL7109475 | 0.84 | — | — | |
| SCHEMBL7107555 | 0.83 | — | — | |
| SCHEMBL2817345 | 0.83 | LSS (0.34) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030176710-A1 | C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof | SCHERING AG (DE) | 2003-09-18 | — | — | US | claimed |
| WO-2003053949-A1 | C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-07-03 | — | — | WO | claimed |
| US-7595418-B2 | Protected 5,7-dihydroxy-4,4-dimethyl-3-oxoheptanoic acid esters and 5,7-dihydroxy-2-alkyl-4,4-dimethyl-3-oxoheptanoci acid esters for the synthesizing of epothilone and epothilone derivatives and process for the production of these esters | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-09-29 | — | — | US | disclosed |
| US-20090018342-A1 | NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE | KLAR ULRICH | 2009-01-15 | — | — | US | disclosed |
| US-7407975-B2 | Epothilone derivatives, method for producing same and their pharmaceutical use | BAYER SCHERING PHARMA AG (DE) | 2008-08-05 | — | — | US | disclosed |
| US-20080015366-A1 | Protected 5,7-Dihydroxy-4,4-Dimethyl-3-Oxoheptanoic Acid Esters and 5,7-Dihydroxy-2-Alkyl-4,4-Dimethyl-3-Oxoheptanoci Acid Esters for the Synthesizing of Epothilone and Epothilone Derivatives and Process for the Production of These Esters | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-01-17 | — | — | 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-1150980-B1 | 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE | BAYER SCHERING PHARMA AG (DE) | 2007-08-22 | — | — | 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-20070142675-A1 | Method for producing c1-c15 fragments of epothilones and the derivatives thereof | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-06-21 | — | — | US | disclosed |
| US-20070142675-A1 | Method for producing c1-c15 fragments of epothilones and the derivatives thereof | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-06-21 | — | — | US | disclosed |
| US-6610736-B1 | Antitumor | SCHERING AG (DE) | 2003-08-26 | — | — | US | disclosed |
| US-20030144523-A1 | EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-07-31 | — | — | US | disclosed |
| WO-2003053949-A1 | C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-07-03 | — | — | WO | disclosed |
| EP-1161430-A2 | EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-12-12 | — | — | EP | disclosed |
| EP-1150980-A2 | 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000049021-A2 | 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-24 | — | — | WO | disclosed |
| WO-2000047584-A2 | EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-17 | — | — | WO | 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 |