⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL926779 | 0.90 | CA1 (0.31) | — | |
| SCHEMBL925263 | 0.87 | CA1 (0.38) | — | |
| SCHEMBL30773895 | 0.85 | CA1 (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1330266 | 0.85 | KCNH2 (0.35) | — | |
| Sulfuric Acid SCHEMBL4245931 | 0.79 | CTDSP1 (0.31) | — | |
| SCHEMBL294563 | 0.79 | — | — | |
| Sulfuric Acid SCHEMBL21195039 | 0.78 | CTDSP1 (0.30) | — | |
| SCHEMBL4245800 | 0.78 | CTDSP1 (0.30) | — | |
| SCHEMBL1617828 | 0.78 | CTDSP1 (0.30) | — | |
| Fluoride Ion SCHEMBL1900591 | 0.77 | CTDSP1 (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-1432511-B1 | Electrophilic substitution process utilising organic ionic liquids and zeolites as catalysts/catalyst precursors | UNIV BELFAST (GB) | 2013-05-01 | — | — | EP | disclosed |
| US-7119235-B2 | Process utilizing zeolites as catalysts/catalyst precursors | THE QUEEN'S UNIVERSITY OF BELFAST (GB) | 2006-10-10 | — | — | US | disclosed |
| US-20050049438-A1 | Process utilising zeolites as catalysts/catalyst precursors | THE QUEEN'S UNIVERSITY OF BELFAST (GB) | 2005-03-03 | — | — | US | disclosed |