⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5634994 | 0.81 | — | — | |
| SCHEMBL7195136 | 0.75 | — | — | |
| SCHEMBL8558266 | 0.74 | KDM1A (0.34) | — | |
| SCHEMBL1574064 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL1953004 | 0.71 | — | — | |
| SCHEMBL217324 | 0.71 | DRD2 (0.32) | — | |
| SCHEMBL816209 | 0.69 | — | — | |
| SCHEMBL1949937 | 0.69 | SIGMAR1 (0.31) | — | |
| SCHEMBL1953407 | 0.69 | — | — | |
| SCHEMBL1951686 | 0.69 | ALDH1A1 (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-2379075-A1 | TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010077582-A1 | TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2010-07-08 | — | — | WO | disclosed |