⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8330118 | 0.69 | — | — | |
| SCHEMBL16955746 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL11256625 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL12107896 | 0.64 | — | — | |
| SCHEMBL305882 | 0.63 | RAPGEF4 (0.38) | — | |
| SCHEMBL1707412 | 0.62 | — | — | |
| Hexamethylbenzene SCHEMBL3999658 | 0.61 | — | — | |
| Hexamethylbenzene SCHEMBL14954175 | 0.61 | — | — | |
| Hexamethylbenzene SCHEMBL14954050 | 0.61 | — | — | |
| Hexamethylbenzene SCHEMBL14954332 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9126987-B2 | Inhibitors of glutaminyl cyclase | PROBIODRUG AG (DE) | 2015-09-08 | — | — | US | disclosed |
| EP-2091948-B1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2012-04-18 | — | — | EP | disclosed |
| EP-2091948-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | Probiodrug AG (DE) | 2009-08-26 | — | — | EP | disclosed |
| US-20080214620-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2008-09-04 | — | — | US | disclosed |
| WO-2008065141-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2008-06-05 | — | — | WO | disclosed |