⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3387 | 0.64 | — | — | |
| SCHEMBL103660 | 0.60 | — | — | |
| SCHEMBL14946537 | 0.52 | — | — | |
| SCHEMBL931162 | 0.46 | — | — | |
| SCHEMBL1190870 | 0.46 | — | — | |
| SCHEMBL31299 | 0.46 | — | — | |
| Oxirane SCHEMBL38664116 | 0.43 | — | — | |
| Oxirane SCHEMBL13219386 | 0.43 | — | — | |
| Fluoride SCHEMBL31441110 | 0.43 | — | — | |
| Oxirane SCHEMBL973217 | 0.41 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005037803-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-04-28 | — | — | WO | disclosed |