⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10776951 | 0.67 | — | — | |
| SCHEMBL27923431 | 0.65 | — | — | |
| SCHEMBL4618903 | 0.62 | — | — | |
| SCHEMBL10714864 | 0.62 | — | — | |
| SCHEMBL6746591 | 0.61 | — | — | |
| Tert-Butylamine SCHEMBL11613122 | 0.58 | — | — | |
| Thiocyanic Acid SCHEMBL17223148 | 0.58 | — | — | |
| SCHEMBL7961659 | 0.58 | — | — | |
| Iodide SCHEMBL8756258 | 0.58 | — | — | |
| SCHEMBL31548915 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3088425-B1 | FLUORINATED MACROINITIATOR AND METHOD FOR PRODUCING SAME | UNIMATEC CO LTD (JP) | 2020-09-30 | — | — | EP | disclosed |