⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6598423 | 1.00 | — | — | |
| SCHEMBL6901200 | 0.79 | — | — | |
| SCHEMBL11777775 | 0.77 | — | — | |
| SCHEMBL8931299 | 0.73 | — | — | |
| SCHEMBL24414804 | 0.67 | — | — | |
| SCHEMBL6597172 | 0.65 | — | — | |
| SCHEMBL16568751 | 0.65 | — | — | |
| SCHEMBL22129504 | 0.65 | — | — | |
| SCHEMBL17055830 | 0.65 | — | — | |
| SCHEMBL14908459 | 0.65 | — | — |
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 8 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 |
| WO-1999059985-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1999-11-25 | — | — | WO | claimed |
| 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 |
| WO-1999059985-A1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1999-11-25 | — | — | WO | disclosed |