⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10153255 | 0.96 | — | — | |
| Methanesulfonamide SCHEMBL5314532 | 0.77 | CA1 (0.47) | — | |
| SCHEMBL4958964 | 0.75 | — | — | |
| Glycine SCHEMBL2476160 | 0.73 | GLRA1 (0.53) | — | |
| SCHEMBL17177648 | 0.69 | — | — | |
| SCHEMBL1668401 | 0.69 | — | — | |
| SCHEMBL21299293 | 0.68 | — | — | |
| SCHEMBL10339840 | 0.67 | — | — | |
| SCHEMBL9998063 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL4864508 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009139392-A1 | PROCESS FOR PRODUCTION OF β-ALANYLAMINO ACID OR DERIVATIVE THEREOF | 味の素株式会社 (JP) | 2009-11-19 | — | — | WO | disclosed |