⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8028257 | 1.00 | — | — | |
| SCHEMBL8030285 | 0.81 | PTPN1 (0.33) | — | |
| SCHEMBL4186285 | 0.81 | — | — | |
| SCHEMBL4879795 | 0.80 | — | — | |
| SCHEMBL4194808 | 0.80 | — | — | |
| SCHEMBL8197214 | 0.80 | — | — | |
| SCHEMBL10763335 | 0.78 | — | — | |
| SCHEMBL10850437 | 0.75 | — | — | |
| SCHEMBL10850432 | 0.75 | — | — | |
| SCHEMBL4590093 | 0.74 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100168179-A1 | 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS | KLAR ULRICH | 2010-07-01 | — | — | US | disclosed |
| US-7700621-B2 | E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-20 | — | — | US | disclosed |
| US-7645891-B2 | E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-12 | — | — | US | disclosed |
| EP-1173441-B1 | 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS | BAYER SCHERING PHARMA AG (DE) | 2009-08-26 | — | — | EP | 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 |
| 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-7125893-B1 | 6-alkenyl-, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations | SCHERING AG (DE) | 2006-10-24 | — | — | US | disclosed |
| US-20060046997-A1 | 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2006-03-02 | — | — | US | disclosed |
| US-20040058969-A1 | Novel epothilone derivatives, method for the preparation thereof and their pharmaceutical use | SCHERING AG (DE) | 2004-03-25 | — | — | US | disclosed |
| 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 | 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-1276740-A2 | NOVEL EPOTHILONE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-01-22 | — | — | EP | 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-2001081342-A2 | NOVEL EPOTHILONE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-11-01 | — | — | 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 |