⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8387230 | 1.00 | — | — | |
| SCHEMBL8390832 | 0.97 | — | — | |
| SCHEMBL7029074 | 0.97 | — | — | |
| SCHEMBL8387220 | 0.93 | — | — | |
| SCHEMBL7027850 | 0.93 | — | — | |
| SCHEMBL8387231 | 0.87 | KDM5A (0.34) | — | |
| SCHEMBL7026494 | 0.87 | KDM5A (0.34) | — | |
| SCHEMBL8387252 | 0.86 | CYP1A2 (0.33) | — | |
| SCHEMBL12396468 | 0.86 | — | — | |
| SCHEMBL7032814 | 0.86 | CYP1A2 (0.33) | — |
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 |