⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27814842 | 1.00 | — | — | |
| SCHEMBL10697164 | 0.81 | — | — | |
| SCHEMBL2897093 | 0.79 | — | — | |
| SCHEMBL22778612 | 0.79 | — | — | |
| SCHEMBL14504576 | 0.79 | — | — | |
| SCHEMBL18281481 | 0.79 | — | — | |
| SCHEMBL14504566 | 0.79 | — | — | |
| SCHEMBL20783164 | 0.79 | — | — | |
| SCHEMBL14376970 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2899496 | 0.77 | EPHX1 (0.34) | — |
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 6 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 |
| CN-101842369-A | 2, 3-dihydrobenzo [1, 4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders | ORION CORP | 2010-09-22 | — | — | CN | 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 |
| CN-1344264-A | Tetrahydropyran derivatives and their use as therapeutic agents | MERCK SHARP & DOHME (GB) | 2002-04-10 | — | — | CN | disclosed |