⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229362 | 0.79 | — | — | |
| SCHEMBL318638 | 0.77 | — | — | |
| SCHEMBL2228827 | 0.75 | — | — | |
| SCHEMBL4593294 | 0.73 | — | — | |
| SCHEMBL2229614 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL7895402 | 0.68 | CTSA (0.42) | — | |
| SCHEMBL2230324 | 0.65 | KDM4E (0.41) | — | |
| SCHEMBL2231227 | 0.65 | — | — | |
| Phosphoric Acid SCHEMBL29016943 | 0.62 | CDC25A (0.34) | — | |
| SCHEMBL25414688 | 0.57 | CYP3A4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730157-B1 | IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| EP-1730157-A1 | IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS | MERCK PATENT GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005105815-A1 | IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2005-11-10 | — | — | WO | disclosed |