⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11492735 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL778979 | 0.83 | CYP2C19 (0.35) | — | |
| SCHEMBL1723295 | 0.76 | — | — | |
| SCHEMBL776783 | 0.74 | — | — | |
| SCHEMBL1723807 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL8861473 | 0.72 | — | — | |
| SCHEMBL778427 | 0.72 | CYP2C19 (0.33) | — | |
| SCHEMBL1723124 | 0.70 | CES2 (0.39) | — | |
| SCHEMBL778993 | 0.69 | — | — | |
| SCHEMBL25282167 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264680-A1 | Process for the synthesis and purification of (4-methoxybutyl) (4-trifluoromethylphenyl) methanone | LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) | 2009-10-22 | — | — | US | disclosed |
| CN-101061087-A | Process for the synthesis and purification of (4-methoxybutyl)(4-trifluoromethylphenyl)methanone | LUNDBECK PHARMACEUTICALS ITALY (IT) | 2007-10-24 | — | — | CN | disclosed |
| EP-1776327-A1 | PROCESS FOR THE SYNTHESIS AND PURIFICATION OF (4-METHOXYBUTYL)(4-TRIFLUOROMETHYLPHENYL)METHANONE | Lundbeck Pharmaceuticals Italy S.P.A. (IT) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006002691-A1 | PROCESS FOR THE SYNTHESIS AND PURIFICATION OF (4-METHOXYBUTYL) (4-TRIFLUOROMETHYLPHENYL)METHANONE | LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) | 2006-01-12 | — | — | WO | disclosed |