⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5487261 | 1.00 | — | — | |
| SCHEMBL5487266 | 1.00 | — | — | |
| SCHEMBL4465846 | 0.84 | USP2 (0.48) | — | |
| SCHEMBL6118063 | 0.84 | USP2 (0.48) | — | |
| SCHEMBL4465842 | 0.84 | USP2 (0.48) | — | |
| SCHEMBL7480573 | 0.77 | — | — | |
| SCHEMBL7480571 | 0.77 | — | — | |
| SCHEMBL9425788 | 0.75 | — | — | |
| SCHEMBL4361309 | 0.75 | USP2 (0.40) | — | |
| SCHEMBL11128431 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6384045-B1 | TREATMENT OF ALZHEIMER'S DISEASE AND ANTICANCER AGENTS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2002-05-07 | — | — | US | disclosed |
| US-5958970-A | ENZYME INHIBITORS OF ACETYLCHOLINESTERASE (ACHE) AND ACYL-COA:CHOLESTEROL ACYLTRANSFERASE (ACAT); USED IN THE TREATMENT OF ALZHEIMER'S DISEASE, ATHEROSCLEROSIS AND HYPERCHOLESTEROLEMIA | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1999-09-28 | — | — | US | disclosed |