⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11486808 | 0.68 | — | — | |
| SCHEMBL874363 | 0.67 | — | — | |
| SCHEMBL6668165 | 0.58 | — | — | |
| SCHEMBL231964 | 0.57 | SLC18A3 (0.32) | — | |
| SCHEMBL3828819 | 0.56 | SLC18A3 (0.31) | — | |
| SCHEMBL12488069 | 0.53 | — | — | |
| SCHEMBL7380608 | 0.53 | — | — | |
| SCHEMBL15787050 | 0.52 | — | — | |
| SCHEMBL10637948 | 0.51 | — | — | |
| SCHEMBL23223078 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |