⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16796763 | 1.00 | — | — | |
| SCHEMBL6598218 | 1.00 | — | — | |
| SCHEMBL3553912 | 1.00 | — | — | |
| SCHEMBL3552455 | 0.88 | — | — | |
| SCHEMBL12250850 | 0.88 | CA2 (0.33) | — | |
| SCHEMBL3552459 | 0.88 | — | — | |
| SCHEMBL6598872 | 0.88 | — | — | |
| SCHEMBL4190580 | 0.87 | — | — | |
| SCHEMBL4190573 | 0.87 | — | — | |
| SCHEMBL4190518 | 0.87 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7645782-B2 | Thia-epothilone derivatives for the treatment of cancer | Richter, Wolfgang (DE) | 2010-01-12 | — | — | US | disclosed |
| EP-1567524-B1 | THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER | RICHTER WOLFGANG (DE) | 2009-07-22 | — | — | EP | disclosed |
| US-7553859-B2 | Macrocycles for the treatment of cancer | Richter, Wolfgang (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20060128966-A1 | Thia-epothilone derivatives for the treatment of cancer | MORPHONCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) | 2006-06-15 | — | — | US | disclosed |
| US-20060004065-A1 | Novel macrocycles for the treatment of cancer | WOLFGANG RICHTER (DE) | 2006-01-05 | — | — | US | disclosed |
| EP-1521752-A1 | NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER | Gesellschaft fur Biotechnologische Forschung mbH (gbf) (DE) | 2005-04-13 | — | — | EP | disclosed |
| EP-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| WO-2004007492-A1 | NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER | GESELLSCHAFT FUER BIOTECHNOLGISCHE FORSCHUNG MBH (GBF) (DE) | 2004-01-22 | — | — | WO | disclosed |
| US-6350878-B1 | BASIFICATION AND IODINATION OF ALDEHYDE | NOVARTIS AG (CH) | 2002-02-26 | — | — | US | disclosed |
| US-6156905-A | Deoxy epothilones and intermediates utilized in the process for preparing epothilones | NOVARTIS AG (CH) | 2000-12-05 | — | — | US | disclosed |
| US-6043372-A | USEFUL CHEMICAL INTERMEDIATES FOR ANTICARCINOGENIC EPITHILONES | NOVARTIS AG (CH) | 2000-03-28 | — | — | US | disclosed |
| US-5969145-A | Process for the production of epothilones and intermediate products within the process | NOVARTIS AG (CH) | 1999-10-19 | — | — | US | disclosed |