⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7230172 | 0.75 | — | — | |
| SCHEMBL12970918 | 0.74 | — | — | |
| SCHEMBL5452325 | 0.73 | — | — | |
| SCHEMBL6032146 | 0.73 | — | — | |
| SCHEMBL491152 | 0.71 | — | — | |
| SCHEMBL149819 | 0.69 | — | — | |
| SCHEMBL8723146 | 0.69 | — | — | |
| SCHEMBL8661960 | 0.67 | — | — | |
| SCHEMBL8011659 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL27687023 | 0.66 | — | — |
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-8119822-B2 | Ionic liquids in the preparation of POMs | BASF SE (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20090275724-A1 | IONIC LIQUIDS IN THE PREPARATION OF POMS | BASF SE PATENTS ,TRADEMARKS AND LICENSES (DE) | 2009-11-05 | — | — | US | disclosed |
| EP-0483793-B1 | Mixture of dyes for cyan dye donor for thermal color proofing | EASTMAN KODAK CO (US) | 1995-03-29 | — | — | EP | disclosed |