⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026162 | 0.88 | — | — | |
| SCHEMBL7028535 | 0.86 | CYP11B1 (0.31) | — | |
| SCHEMBL7027893 | 0.85 | RORC (0.31) | — | |
| SCHEMBL7031003 | 0.85 | NAAA (0.32) | — | |
| SCHEMBL7028220 | 0.83 | ESR2 (0.35) | — | |
| SCHEMBL7027472 | 0.83 | RARB (0.35) | — | |
| SCHEMBL7026094 | 0.82 | ESR2 (0.40) | — | |
| SCHEMBL12655835 | 0.80 | — | — | |
| SCHEMBL7025893 | 0.78 | — | — | |
| SCHEMBL12655818 | 0.78 | — | — |
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-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |