⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1077466 | 0.81 | ALOX15 (0.34) | — | |
| SCHEMBL29066586 | 0.77 | CA2 (0.41) | — | |
| SCHEMBL1078699 | 0.76 | — | — | |
| SCHEMBL291079 | 0.76 | — | — | |
| SCHEMBL62914 | 0.76 | SLC22A6 (0.38) | — | |
| SCHEMBL28002998 | 0.76 | SLC22A6 (0.38) | — | |
| SCHEMBL29066582 | 0.74 | SLC22A6 (0.36) | — | |
| SCHEMBL10136166 | 0.73 | GRIK1 (0.50) | — | |
| SCHEMBL15500066 | 0.71 | MGAM (0.41) | — | |
| SCHEMBL4260594 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2796546-B1 | Incorporation of unnatural amino acids | SCRIPPS RESEARCH INST (US) | 2017-08-09 | — | — | EP | disclosed |
| EP-2796546-A1 | In vivo incorporation of unnatural amino acids | The Scripps Research Institute (US) | 2014-10-29 | — | — | EP | disclosed |