⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256017 | 0.79 | — | — | |
| SCHEMBL3023589 | 0.77 | — | — | |
| SCHEMBL5842007 | 0.77 | — | — | |
| SCHEMBL243040 | 0.77 | — | — | |
| SCHEMBL3253224 | 0.77 | — | — | |
| SCHEMBL956381 | 0.77 | — | — | |
| SCHEMBL5280796 | 0.77 | — | — | |
| SCHEMBL4034193 | 0.77 | — | — | |
| SCHEMBL7451426 | 0.75 | — | — | |
| SCHEMBL12365143 | 0.75 | ADRA1D (0.42) | — |
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-0359190-A1 | Fluorination process | SCHERING CORPORATION (US) | 1990-03-21 | — | — | EP | disclosed |