⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965550 | 0.94 | — | — | |
| SCHEMBL1966046 | 0.92 | POLB (0.34) | — | |
| SCHEMBL8525292 | 0.71 | — | — | |
| SCHEMBL3963090 | 0.71 | — | — | |
| SCHEMBL9616129 | 0.67 | — | — | |
| SCHEMBL2732647 | 0.67 | — | — | |
| SCHEMBL252753 | 0.67 | — | — | |
| SCHEMBL7647952 | 0.67 | — | — | |
| SCHEMBL7936022 | 0.65 | POLB (0.31) | — | |
| SCHEMBL16151058 | 0.65 | CYP2C19 (0.45) | — |
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-1954693-A1 | BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20070185103-A1 | Beta-secretase modulators and methods of use | AMGEN INC. | 2007-08-09 | — | — | US | disclosed |
| WO-2007062007-A1 | BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2007-05-31 | — | — | WO | disclosed |