⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26404 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL27991631 | 0.81 | — | — | |
| SCHEMBL27626913 | 0.81 | — | — | |
| Bromide SCHEMBL3286873 | 0.78 | — | — | |
| Ethylamine SCHEMBL720431 | 0.76 | — | — | |
| SCHEMBL2178206 | 0.76 | TTR (0.35) | — | |
| Benzene SCHEMBL28308833 | 0.76 | — | — | |
| Acetamide SCHEMBL720429 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL25941 | 0.73 | — | — | |
| SCHEMBL14321619 | 0.73 | — | — |
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 |