⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL549035 | 0.75 | — | — | |
| SCHEMBL534389 | 0.75 | — | — | |
| SCHEMBL2091188 | 0.72 | APP (0.35) | — | |
| SCHEMBL6002811 | 0.70 | HRH3 (0.39) | — | |
| SCHEMBL5981733 | 0.67 | SORT1 (0.31) | — | |
| SCHEMBL1337213 | 0.67 | — | — | |
| SCHEMBL2091553 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL6235370 | 0.64 | IDO1 (0.42) | — | |
| SCHEMBL2096161 | 0.62 | APP (0.48) | — | |
| SCHEMBL103565 | 0.54 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060014796-A1 | Epothilone derivatives | DENNI-DISCHERT DONATIENNE | 2006-01-19 | — | — | US | claimed |
| EP-1581536-A2 | EPOTHILONE DERIVATIVES | Novartis AG (CH) | 2005-10-05 | — | — | EP | claimed |
| WO-2004056832-A2 | EPOTHILONE DERIVATIVES | NOVARTIS AG (CH) | 2004-07-08 | — | — | WO | claimed |
| US-7317100-B2 | Epothilone derivatives | NOVARTIS AG (CH) | 2008-01-08 | — | — | US | disclosed |
| CN-1732172-A | Epothilone derivatives | NOVARTIS AG (CH) | 2006-02-08 | — | — | CN | disclosed |
| US-20060014796-A1 | Epothilone derivatives | DENNI-DISCHERT DONATIENNE | 2006-01-19 | — | — | US | disclosed |
| EP-1581536-A2 | EPOTHILONE DERIVATIVES | Novartis AG (CH) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004056832-A2 | EPOTHILONE DERIVATIVES | NOVARTIS AG (CH) | 2004-07-08 | — | — | WO | disclosed |
| US-20040018598-A1 | Bio-intermediates for use in the chemical synthesis of polyketides | SANTI DANIEL (US) | 2004-01-29 | — | — | US | disclosed |
| EP-1307579-A2 | BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES | Kosan Biosciences, Inc. (US) | 2003-05-07 | — | — | EP | disclosed |
| US-20020052028-A1 | Bio-intermediates for use in the chemical synthesis of polyketides | KOSAN BIOSCIENCES, INC. | 2002-05-02 | — | — | US | disclosed |
| WO-2002012534-A2 | BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES | KOSAN BIOSCIENCES, INC. (US) | 2002-02-14 | — | — | WO | disclosed |