⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2724481 | 0.87 | — | — | |
| SCHEMBL3412783 | 0.73 | — | — | |
| Trifluoroacetic Acid SCHEMBL28337022 | 0.70 | CYP2D6 (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL29678829 | 0.70 | CYP2D6 (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL28575749 | 0.69 | L3MBTL1 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL20958677 | 0.68 | PKM (0.32) | — | |
| SCHEMBL4608727 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL23152383 | 0.67 | SLC6A1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL30268828 | 0.67 | SSTR4 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL28336835 | 0.66 | SLC6A2 (0.35) | — |
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-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| EP-1877404-A2 | NOVEL CYCLIC AMINES | F. Hoffmann-Roche AG (CH) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006114401-A2 | NOVEL CYCLIC AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | WO | disclosed |
| US-20060247238-A1 | Cyclic amines | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | US | disclosed |