⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10286985 | 1.00 | — | — | |
| SCHEMBL3037367 | 0.83 | — | — | |
| SCHEMBL3037364 | 0.83 | — | — | |
| SCHEMBL13369309 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL8213363 | 0.76 | — | — | |
| SCHEMBL28219561 | 0.75 | ALDH1A1 (0.68) | — | |
| SCHEMBL247631 | 0.74 | — | — | |
| SCHEMBL21706524 | 0.74 | — | — | |
| SCHEMBL8311215 | 0.74 | — | — | |
| SCHEMBL746203 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935827-B2 | Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters | BAYER SCHERING PHARMA AG (DE) | 2011-05-03 | — | — | US | disclosed |
| US-20100248313-A1 | NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | BAYER SCHERING PHARMA AG (DE) | 2010-09-30 | — | — | US | disclosed |
| US-7626035-B2 | Ethyl 2-(benzothiazol-2-yl),2-oxo-acetate; useful in the synthesis of epothilonederivatives; antitumor,-carcinogenic agents; high chemical purity, optical purity,in very good yields and allows an industrial-scale production | BAYER SCHERING PHARMA AG (DE) | 2009-12-01 | — | — | US | disclosed |
| EP-2113031-A1 | OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS, PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-11-04 | — | — | EP | disclosed |
| US-20060148043-A1 | Novel optically active, heteroaromatic beta-hydroxy esters and processes for their preparation from beta-keto esters and processes for the preparation of these beta-keto esters | BAYER SCHERING PHARMA AG (DE) | 2006-07-06 | — | — | US | disclosed |
| WO-2005064006-A1 | OPTICALLY ACTIVE, HETEROAROMATIC β-HYDROXY ESTERS, PROCESSES FOR THEIR PREPARATION FROM β-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE β-KETO ESTERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-07-14 | — | — | WO | disclosed |