⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2461096 | 0.70 | — | — | |
| SCHEMBL12967665 | 0.69 | — | — | |
| SCHEMBL1229186 | 0.67 | — | — | |
| SCHEMBL8925633 | 0.67 | — | — | |
| SCHEMBL14184071 | 0.67 | — | — | |
| SCHEMBL17635988 | 0.65 | — | — | |
| SCHEMBL4374607 | 0.65 | — | — | |
| SCHEMBL2014857 | 0.62 | — | — | |
| SCHEMBL15759345 | 0.62 | — | — | |
| SCHEMBL13888870 | 0.62 | — | — |
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-6867305-B2 | Synthesis of epothilones, intermediates thereto and analogues thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2005-03-15 | — | — | US | disclosed |
| EP-1259490-A2 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF | Sloan Kettering Institute For Cancer Research (US) | 2002-11-27 | — | — | EP | disclosed |
| US-20020058286-A1 | Synthesis of epothilones, intermediates thereto and analogues thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-05-16 | — | — | US | disclosed |
| US-20020058817-A1 | Synthesis of epothilones, intermediates thereto and analogues thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-05-16 | — | — | US | disclosed |
| WO-2001064650-A2 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH CENTER (US) | 2001-09-07 | — | — | WO | disclosed |