⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3866566 | 1.00 | — | — | |
| SCHEMBL4197902 | 1.00 | — | — | |
| SCHEMBL4197056 | 0.88 | — | — | |
| SCHEMBL3867018 | 0.88 | — | — | |
| SCHEMBL6602250 | 0.87 | — | — | |
| SCHEMBL2384111 | 0.85 | FAAH (0.31) | — | |
| SCHEMBL4204165 | 0.83 | — | — | |
| SCHEMBL4590093 | 0.83 | — | — | |
| SCHEMBL3836981 | 0.83 | — | — | |
| SCHEMBL7111574 | 0.82 | PTPN1 (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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | claimed |
| US-6350878-B1 | BASIFICATION AND IODINATION OF ALDEHYDE | NOVARTIS AG (CH) | 2002-02-26 | — | — | US | claimed |
| EP-1080082-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | Novartis AG (CH) | 2001-03-07 | — | — | EP | claimed |
| US-6156905-A | Deoxy epothilones and intermediates utilized in the process for preparing epothilones | NOVARTIS AG (CH) | 2000-12-05 | — | — | US | claimed |
| WO-1999059985-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1999-11-25 | — | — | WO | claimed |
| EP-0923583-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | Novartis AG (CH) | 1999-06-23 | — | — | EP | claimed |
| WO-1998008849-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | NOVARTIS AKTIENGESELLSCHAFT (CH) | 1998-03-05 | — | — | WO | claimed |
| WO-2007110214-A1 | 12-AZA-EP0THIL0NES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | ETH Zürich (CH) | 2007-10-04 | — | — | WO | disclosed |
| EP-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6350878-B1 | BASIFICATION AND IODINATION OF ALDEHYDE | NOVARTIS AG (CH) | 2002-02-26 | — | — | US | disclosed |
| EP-1080082-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | Novartis AG (CH) | 2001-03-07 | — | — | EP | disclosed |
| 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 |
| WO-1999059985-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1999-11-25 | — | — | WO | 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 |