⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675611 | 0.77 | — | — | |
| SCHEMBL28496801 | 0.69 | — | — | |
| SCHEMBL9777886 | 0.69 | — | — | |
| SCHEMBL548843 | 0.67 | — | — | |
| SCHEMBL548844 | 0.67 | — | — | |
| SCHEMBL13857083 | 0.67 | — | — | |
| SCHEMBL17542246 | 0.67 | — | — | |
| SCHEMBL10348549 | 0.67 | — | — | |
| SCHEMBL315431 | 0.65 | — | — | |
| SCHEMBL356852 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005026184-A9 | SYNTHESIS AND COMPOSITIONS OF 2'-TERMINATOR NUCLEOTIDES | ROCHE DIAGNOSTICS GMBH (DE) | 2006-03-02 | — | — | WO | disclosed |
| US-20050032182-A1 | Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH | 2005-02-10 | — | — | US | disclosed |