⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11289901 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL11289895 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL3689101 | 0.84 | — | — | |
| SCHEMBL1714380 | 0.77 | — | — | |
| SCHEMBL717817 | 0.74 | — | — | |
| SCHEMBL11278954 | 0.72 | — | — | |
| SCHEMBL11273544 | 0.70 | — | — | |
| SCHEMBL11273543 | 0.70 | — | — | |
| SCHEMBL14317529 | 0.67 | — | — | |
| SCHEMBL7551518 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000555-B1 | PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL | BAYER AG (DE) | 1982-02-10 | — | — | EP | disclosed |
| EP-0000554-B1 | PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL | BAYER AG (DE) | 1982-02-10 | — | — | EP | disclosed |
| EP-0000554-A1 | Process for the preparation of oxiranes substituted by halogen alkyl | BAYER AG (DE) | 1979-02-07 | — | — | EP | disclosed |
| EP-0000555-A1 | Process for the preparation of oxiranes substituted by halogen alkyl | BAYER AG (DE) | 1979-02-07 | — | — | EP | disclosed |