⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6796036 | 1.00 | — | — | |
| SCHEMBL15061681 | 1.00 | — | — | |
| SCHEMBL4193121 | 0.79 | BACE1 (0.30) | — | |
| SCHEMBL13008014 | 0.76 | — | — | |
| SCHEMBL13900150 | 0.76 | GLA (0.32) | — | |
| SCHEMBL21874932 | 0.75 | PTPN1 (0.33) | — | |
| SCHEMBL4186128 | 0.73 | GAA (0.34) | — | |
| SCHEMBL5112776 | 0.73 | GAA (0.34) | — | |
| SCHEMBL146063 | 0.72 | GLA (0.37) | — | |
| SCHEMBL15636224 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116709-A1 | Process for producing optically active n-aryl-1-amino-2-propanol derivatives | KANEKA CORPORATION (JP) | 2004-06-17 | — | — | US | disclosed |
| EP-1367053-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2003-12-03 | — | — | EP | disclosed |