⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4598997 | 0.94 | — | — | |
| SCHEMBL4599324 | 0.92 | CA2 (0.30) | — | |
| SCHEMBL2020071 | 0.92 | CA2 (0.30) | — | |
| SCHEMBL2945407 | 0.88 | — | — | |
| SCHEMBL9647392 | 0.75 | — | — | |
| SCHEMBL6607326 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL4598920 | 0.73 | — | — | |
| SCHEMBL10490386 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL11488765 | 0.71 | — | — | |
| SCHEMBL6055461 | 0.71 | CA2 (0.31) | — |
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-1910309-A2 | CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION | Wyeth (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007016012-A2 | CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION | WYETH (US) | 2007-02-08 | — | — | WO | disclosed |