⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14194003 | 0.79 | — | — | |
| SCHEMBL2152625 | 0.78 | — | — | |
| SCHEMBL31437536 | 0.78 | — | — | |
| SCHEMBL2152621 | 0.78 | — | — | |
| SCHEMBL14192832 | 0.76 | — | — | |
| SCHEMBL16796722 | 0.76 | — | — | |
| SCHEMBL1338881 | 0.76 | CYP3A4 (0.36) | — | |
| SCHEMBL16722458 | 0.76 | DUT (0.30) | — | |
| SCHEMBL3854459 | 0.75 | — | — | |
| SCHEMBL26759818 | 0.75 | — | — |
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-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 |
| EP-0923583-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | Novartis AG (CH) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998008849-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | NOVARTIS AKTIENGESELLSCHAFT (CH) | 1998-03-05 | — | — | WO | disclosed |