⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10045671 | 0.84 | — | — | |
| SCHEMBL10717160 | 0.79 | — | — | |
| SCHEMBL18195576 | 0.78 | — | — | |
| SCHEMBL20411944 | 0.71 | — | — | |
| SCHEMBL16938112 | 0.71 | — | — | |
| SCHEMBL2625531 | 0.71 | THRA (0.30) | — | |
| SCHEMBL13967280 | 0.71 | — | — | |
| SCHEMBL2625528 | 0.67 | — | — | |
| SCHEMBL19021524 | 0.67 | — | — | |
| SCHEMBL25306634 | 0.67 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620458-B1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-alpha-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE DIMETHYL ACETAL AS A PRECURSOR | NUTRASWEET PROPERTY HOLDINGS INC (US) | 2012-03-21 | — | — | EP | disclosed |
| US-8034969-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2011-10-11 | — | — | US | disclosed |
| US-8034969-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2011-10-11 | — | — | US | disclosed |
| US-8034969-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2011-10-11 | — | — | US | disclosed |
| US-20100222608-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100222608-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100222608-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2010-09-02 | — | — | US | disclosed |
| EP-2138506-A2 | Synthesis of N-N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | The NutraSweet Company (US) | 2009-12-30 | — | — | EP | disclosed |
| US-20080045744-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2008-02-21 | — | — | US | disclosed |
| US-20080045744-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2008-02-21 | — | — | US | disclosed |
| US-20080045744-A1 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | THE NUTRASWEET COMPANY (US) | 2008-02-21 | — | — | US | disclosed |
| US-7288670-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288670-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288670-B2 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | THE NUTRASWEET COMPANY (US) | 2007-10-30 | — | — | US | disclosed |
| EP-1620458-A2 | SYNTHESIS OF N- [N-(3,3-DIMETHYLBUTYL)-L-a-ASPARTYL] -L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | The NutraSweet Company (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004101604-A2 | SYNTHESIS OF N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER USING 3,3-DIMETHYLBUTYRALDEHYDE PRECURSORS | NUTRASWEET COMPANY (US) | 2004-11-25 | — | — | WO | disclosed |
| US-20040236140-A1 | Synthesis of N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine 1-methyl ester using 3,3-dimethylbutyraldehyde precursors | NUTRASWEET COMPANY | 2004-11-25 | — | — | US | disclosed |