⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28580196 | 0.73 | — | — | |
| SCHEMBL1493717 | 0.71 | — | — | |
| SCHEMBL1137963 | 0.71 | — | — | |
| SCHEMBL711955 | 0.71 | — | — | |
| Ethylene Glycol SCHEMBL29044558 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL6230645 | 0.69 | — | — | |
| SCHEMBL3386331 | 0.69 | — | — | |
| SCHEMBL5494891 | 0.69 | — | — | |
| SCHEMBL19839307 | 0.67 | — | — | |
| SCHEMBL27433942 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040214881-A1 | Method for producing optically active halopropanediol derivative | KANEKA CORPORATION (JP) | 2004-10-28 | — | — | US | disclosed |
| EP-1422213-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOPROPANEDIOL DERIVATIVE | KANEKA CORPORATION (JP) | 2004-05-26 | — | — | EP | disclosed |
| US-5481008-A | HYDROGENATION WITH RUTHENIUM-PHOSPHINE COMPLEX CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1996-01-02 | — | — | US | disclosed |