⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8028257 | 0.80 | — | — | |
| SCHEMBL2822016 | 0.80 | — | — | |
| SCHEMBL3836981 | 0.80 | — | — | |
| SCHEMBL4590093 | 0.80 | — | — | |
| SCHEMBL14113080 | 0.74 | — | — | |
| SCHEMBL8197214 | 0.74 | — | — | |
| SCHEMBL10850432 | 0.73 | — | — | |
| SCHEMBL10850437 | 0.73 | — | — | |
| SCHEMBL10763335 | 0.73 | — | — | |
| SCHEMBL28238430 | 0.72 | KDM4E (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-20080161580-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE | WESTERMANN JURGEN | 2008-07-03 | — | — | US | disclosed |
| US-6933385-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use | SCHERING AG (DE) | 2005-08-23 | — | — | US | disclosed |
| EP-1412322-A2 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONE AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030158412-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | US | disclosed |
| WO-2003014063-A2 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONE AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |