⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8078674 | 1.00 | — | — | |
| SCHEMBL8014305 | 0.79 | — | — | |
| SCHEMBL8014315 | 0.79 | — | — | |
| SCHEMBL16722458 | 0.79 | DUT (0.30) | — | |
| SCHEMBL3179303 | 0.78 | TET2 (0.38) | — | |
| SCHEMBL3179292 | 0.78 | TET2 (0.38) | — | |
| SCHEMBL28517828 | 0.76 | DUT (0.31) | — | |
| SCHEMBL19543555 | 0.76 | DUT (0.31) | — | |
| SCHEMBL1313910 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL1313907 | 0.76 | MAPK1 (0.33) | — |
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 |