⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1825957 | 1.00 | — | — | |
| SCHEMBL1827478 | 1.00 | — | — | |
| SCHEMBL1826858 | 0.79 | FAAH (0.32) | — | |
| SCHEMBL1826860 | 0.79 | FAAH (0.32) | — | |
| SCHEMBL17244667 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL17611385 | 0.79 | — | — | |
| SCHEMBL28427338 | 0.78 | MGAM (0.34) | — | |
| SCHEMBL22089530 | 0.78 | MGAM (0.34) | — | |
| SCHEMBL17621921 | 0.78 | MGAM (0.34) | — | |
| SCHEMBL19260399 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1647551-B1 | OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME | KANEKA CORP (JP) | 2011-05-04 | — | — | EP | disclosed |
| US-7582781-B2 | epoxidation to produce 1,2-Epoxy-2-(2,4-difluorophenyl)butan-3-ol intermediate for pharmaceutical drugs, a triazole antifungal agent | KANEKA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-20060155136-A1 | Optically active halohydrin derivative and process for producing optically active epoxy alcohol derivative from the same | KANEKA CORPORATION (JP) | 2006-07-13 | — | — | US | disclosed |
| EP-1647551-A1 | OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME | KANEKA CORPORATION (JP) | 2006-04-19 | — | — | EP | disclosed |