⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18934531 | 0.74 | — | — | |
| SCHEMBL4091608 | 0.67 | — | — | |
| SCHEMBL157367 | 0.63 | — | — | |
| SCHEMBL9387479 | 0.63 | — | — | |
| SCHEMBL3075677 | 0.60 | — | — | |
| SCHEMBL20374246 | 0.59 | — | — | |
| SCHEMBL52084 | 0.57 | — | — | |
| SCHEMBL12477767 | 0.57 | — | — | |
| Methyl Alcohol SCHEMBL5443929 | 0.57 | — | — | |
| SCHEMBL7718501 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012040641-A2 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-03-29 | — | — | WO | disclosed |