⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL583308 | 0.75 | — | — | |
| SCHEMBL4367765 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL2101489 | 0.70 | — | — | |
| SCHEMBL27772664 | 0.70 | — | — | |
| SCHEMBL609520 | 0.69 | — | — | |
| Ethylene SCHEMBL687838 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL452616 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL4211415 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL1833108 | 0.67 | — | — | |
| SCHEMBL19387187 | 0.67 | — | — |
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-6965034-B2 | Synthesis of epothilones, intermediates thereto and analogues thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2005-11-15 | — | — | US | disclosed |
| EP-1058679-B1 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF | SLOAN KETTERING INST CANCER (US) | 2005-10-19 | — | — | EP | disclosed |
| US-20040260098-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 | 2004-12-23 | — | — | US | disclosed |
| US-20030208080-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 | 2003-11-06 | — | — | US | disclosed |
| US-6603023-B2 | Synthetic methods for preparing intermediates for the preparation of epothilones A and B, and desoxyepothilones A and B, and related compounds useful as anticancer therapeutics | SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH | 2003-08-05 | — | — | US | disclosed |
| US-20030105330-A1 | Synthesis of epothilones, intermediates thereto and analogues thereof | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2003-06-05 | — | — | US | disclosed |
| US-20030069277-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 | 2003-04-10 | — | — | US | disclosed |
| EP-1058679-A4 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF | SLOAN KETTERING INST CANCER (US) | 2002-08-07 | — | — | EP | disclosed |
| US-6316630-B1 | TREATING EPOTHILONE TO DEOXYGENATE THE EPOTHILONE, AND THEREBY TO PROVIDE THE DESOXYEPOTHILONE | SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH | 2001-11-13 | — | — | US | disclosed |
| US-6204388-B1 | USING BLOCKING AGENT | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2001-03-20 | — | — | US | disclosed |
| EP-1058679-A1 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF | Sloan-Kettering Institute For Cancer Research (US) | 2000-12-13 | — | — | EP | disclosed |
| WO-1999043653-A1 | SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEROF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1999-09-02 | — | — | WO | disclosed |