⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8389590 | 1.00 | — | — | |
| SCHEMBL8389689 | 0.93 | — | — | |
| SCHEMBL7029154 | 0.93 | — | — | |
| SCHEMBL7021194 | 0.88 | — | — | |
| SCHEMBL8387227 | 0.88 | — | — | |
| SCHEMBL8387212 | 0.86 | — | — | |
| SCHEMBL7106101 | 0.86 | — | — | |
| SCHEMBL7023040 | 0.85 | CYP1A2 (0.33) | — | |
| SCHEMBL8390649 | 0.85 | CYP1A2 (0.33) | — | |
| SCHEMBL7029523 | 0.85 | BACE1 (0.32) | — |
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 3 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 |
| US-5888423-A | Fluorobenzyl ether derivatives | ROLIC AG (CH) | 1999-03-30 | — | — | US | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |