⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21339899 | 0.82 | — | — | |
| SCHEMBL24625927 | 0.78 | — | — | |
| SCHEMBL27908657 | 0.75 | DGAT1 (0.42) | — | |
| SCHEMBL20693595 | 0.75 | — | — | |
| SCHEMBL282295 | 0.75 | — | — | |
| SCHEMBL775979 | 0.75 | DGAT1 (0.36) | — | |
| SCHEMBL6754621 | 0.75 | DGAT1 (0.31) | — | |
| SCHEMBL15737166 | 0.73 | — | — | |
| SCHEMBL27599816 | 0.73 | — | — | |
| SCHEMBL135961 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102557936-A | Preparation method for iodine methyl difluoroacetate | SHANGHAI SINOFLUORO SCIENT CO | 2012-07-11 | — | — | CN | claimed |
| CN-102557936-A | Preparation method for iodine methyl difluoroacetate | SHANGHAI SINOFLUORO SCIENT CO | 2012-07-11 | — | — | CN | disclosed |
| EP-1258486-A2 | Process for preparing 2,2-difluoroketene silyl o,s-acetals and alpha,alpha-difluoro-beta-silyloxy-1,3-dioxolane-4-propanoic acid o,s-esters | ELI LILLY AND COMPANY (US) | 2002-11-20 | — | — | EP | disclosed |
| EP-0677527-B1 | Process for preparing 2,2-difluoroketene silyl O,S-acetals and alpha, alpha-difluoro-beta-silyloxy-1,3-dioxolane-4-propanoic acid O,S-esters | LILLY CO ELI (US) | 2002-01-16 | — | — | EP | disclosed |
| EP-0970962-A2 | Process for preparing 2,2-difluoroketene silyl, 0, S-acetals and alpha,alpha-difluoro-beta-silyloxy-1,3-dioxolane-4-propanoic acid 0,S-esters | ELI LILLY AND COMPANY (US) | 2000-01-12 | — | — | EP | disclosed |
| EP-0677527-A1 | Process for preparing 2,2-difluoroketene silyl O,S-acetals and alpha, alpha-difluoro-beta-silyloxy-1,3-dioxolane-4-propanoic acid O,S-esters | ELI LILLY AND COMPANY (US) | 1995-10-18 | — | — | EP | disclosed |
| US-5428176-A | Contacting a difluorothioacetate with a halosilane in presence of reducing agent | ELI LILLY AND COMPANY (US) | 1995-06-27 | — | — | US | disclosed |