⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9471431 | 0.81 | — | — | |
| SCHEMBL5677380 | 0.80 | — | — | |
| SCHEMBL9329480 | 0.76 | — | — | |
| SCHEMBL5681189 | 0.74 | — | — | |
| SCHEMBL1279802 | 0.71 | — | — | |
| SCHEMBL5677093 | 0.69 | — | — | |
| SCHEMBL2811107 | 0.68 | — | — | |
| SCHEMBL5681185 | 0.67 | — | — | |
| SCHEMBL5677146 | 0.67 | — | — | |
| SCHEMBL6231482 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425887-B1 | Process for halogen-fluor exchange in organic compounds and catalysts therefor | BAYER AG (DE) | 1994-03-23 | — | — | EP | disclosed |
| US-5233105-A | Fluorination using hydrogen fluoride | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-03 | — | — | US | disclosed |