⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL462279 | 0.87 | — | — | |
| SCHEMBL9942213 | 0.76 | — | — | |
| SCHEMBL22121208 | 0.67 | — | — | |
| SCHEMBL30477491 | 0.67 | — | — | |
| SCHEMBL9942255 | 0.66 | — | — | |
| Water SCHEMBL11391930 | 0.62 | — | — | |
| SCHEMBL9942217 | 0.57 | — | — | |
| SCHEMBL22121166 | 0.57 | — | — | |
| SCHEMBL701889 | 0.55 | TSHR (0.32) | — | |
| SCHEMBL12095053 | 0.55 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651895-A1 | OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080144-A1 | OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |