⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6259430 | 0.96 | ALOX15 (0.30) | — | |
| SCHEMBL6259192 | 0.93 | — | — | |
| SCHEMBL6714526 | 0.87 | — | — | |
| SCHEMBL6255624 | 0.81 | DAO (0.33) | — | |
| SCHEMBL6258073 | 0.79 | — | — | |
| SCHEMBL3283193 | 0.78 | — | — | |
| SCHEMBL6347626 | 0.78 | TYR (0.31) | — | |
| SCHEMBL13053908 | 0.78 | ACACB (0.32) | — | |
| SCHEMBL6511191 | 0.75 | TYR (0.31) | — | |
| SCHEMBL6260581 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040192771-A1 | Ether compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. | 2004-09-30 | — | — | US | claimed |
| US-20030018013-A1 | Ether compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. | 2003-01-23 | — | — | US | claimed |
| US-6713507-B2 | CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE | ESPERION THERAPEUTICS, INC. | 2004-03-30 | — | — | US | disclosed |