⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7027456 | 0.89 | — | — | |
| SCHEMBL7028219 | 0.86 | HTR2A (0.32) | — | |
| SCHEMBL7021197 | 0.86 | NPC1 (0.30) | — | |
| SCHEMBL7029306 | 0.85 | — | — | |
| SCHEMBL8390610 | 0.85 | — | — | |
| SCHEMBL7025808 | 0.83 | — | — | |
| SCHEMBL7030331 | 0.83 | — | — | |
| SCHEMBL7029159 | 0.81 | NPC1 (0.30) | — | |
| SCHEMBL8748254 | 0.81 | CYP3A4 (0.31) | — | |
| SCHEMBL7028804 | 0.79 | — | — |
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 |