⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6565894 | 0.76 | MAPT (0.30) | — | |
| SCHEMBL375924 | 0.74 | — | — | |
| SCHEMBL13568633 | 0.73 | ASF1A (0.43) | — | |
| SCHEMBL36083 | 0.72 | — | — | |
| SCHEMBL23219697 | 0.70 | — | — | |
| SCHEMBL238985 | 0.69 | — | — | |
| SCHEMBL29846523 | 0.69 | CTSK (0.33) | — | |
| SCHEMBL899170 | 0.68 | — | — | |
| SCHEMBL18843401 | 0.68 | PTPN1 (0.33) | — | |
| SCHEMBL9982511 | 0.67 | CA14 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1457482-B9 | Stable isotope-labeled amino acid, method of integrating the same into target protein, method of NMR structural analysis of protein | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-10-24 | — | — | EP | disclosed |
| EP-1457482-B1 | Stable isotope-labeled amino acid, method of integrating the same into target protein, method of NMR structural analysis of protein | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-7022310-B2 | Stable isotope-labeled amino acid and method for incorporating same into target protein | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2006-04-04 | — | — | US | disclosed |
| US-20050084452-A1 | Stable isotope-labeled amino acid and method for incorporating same into target protein | JAPANESE SCIENCE AND TECHNOLOGY AGENCY | 2005-04-21 | — | — | US | disclosed |
| EP-1457482-A1 | STABLE ISOTOPE-LABELED AMINO ACID, METHOD OF INTEGRATING THE SAME INTO TARGET PROTEIN, METHOD OF NMR STRUCTURAL ANALYSIS OF PROTEIN AND PROCESS FOR PRODUCING SITE-SELECTIVE STABLE ISOTOPE-LABELED FUMARIC ACID AND TARTARIC ACID | Japan Science and Technology Agency (JP) | 2004-09-15 | — | — | EP | disclosed |