⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3228177 | 1.00 | — | — | |
| SCHEMBL3228170 | 1.00 | — | — | |
| SCHEMBL6559471 | 1.00 | — | — | |
| SCHEMBL2692497 | 1.00 | — | — | |
| SCHEMBL2693338 | 1.00 | — | — | |
| SCHEMBL2034245 | 1.00 | — | — | |
| SCHEMBL5897084 | 1.00 | — | — | |
| Water SCHEMBL16700845 | 0.97 | PEPD (0.45) | — | |
| SCHEMBL3339166 | 0.94 | MEN1 (0.43) | — | |
| SCHEMBL5897163 | 0.94 | MEN1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7038087-B2 | Process for the production of optically active amino alcohols | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-05-02 | — | — | US | disclosed |
| US-20040063999-A1 | Process for the production of optically active amino alcohols | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1398310-A1 | Process for the production of optically active amino alcohols | Takasago International Corporation (JP) | 2004-03-17 | — | — | EP | disclosed |