⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11279107 | 1.00 | — | — | |
| SCHEMBL3799500 | 0.91 | TSHR (0.30) | — | |
| SCHEMBL3799495 | 0.91 | TSHR (0.30) | — | |
| SCHEMBL11278757 | 0.91 | TSHR (0.30) | — | |
| SCHEMBL3801835 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL3801836 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL11287631 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL11281712 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL11281729 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL11283418 | 0.81 | DNM1 (0.36) | — |
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 |