⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL764648 | 1.00 | — | — | |
| SCHEMBL15685478 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30675251 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30691926 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL755039 | 0.97 | — | — | |
| SCHEMBL15542159 | 0.92 | — | — | |
| SCHEMBL6903204 | 0.92 | — | — | |
| SCHEMBL15542324 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL30558068 | 0.89 | THRB (0.32) | — | |
| Hydrochloric Acid SCHEMBL757888 | 0.89 | THRB (0.32) | — |
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-2007011810-A1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |