⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7096890 | 0.87 | TDP1 (0.30) | — | |
| SCHEMBL7101078 | 0.81 | — | — | |
| SCHEMBL7097278 | 0.76 | — | — | |
| SCHEMBL29803591 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL7099989 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL197014 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL15274 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL30873805 | 0.68 | GRIK1 (0.34) | — | |
| SCHEMBL28531439 | 0.67 | ECE1 (0.32) | — | |
| SCHEMBL149117 | 0.67 | ECE1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140795-B1 | N-3, 3-DIMETHYLBUTYL-L-ASPARTIC ACID AND ESTERS THEREOF, THE PROCESS OF PREPARING THE SAME, AND THE PROCESS FOR PREPARING N-[N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL)-L-PHENYLALANINE-1-METHYLESTER THEREFROM | NUTRASWEET CO (US) | 2003-09-03 | — | — | EP | claimed |