⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28057725 | 0.89 | ALDH1A1 (0.37) | — | |
| SCHEMBL4533937 | 0.72 | — | — | |
| SCHEMBL1405883 | 0.70 | — | — | |
| SCHEMBL1038821 | 0.70 | — | — | |
| SCHEMBL10112607 | 0.68 | — | — | |
| SCHEMBL1800717 | 0.67 | — | — | |
| SCHEMBL13047570 | 0.67 | — | — | |
| SCHEMBL13692909 | 0.67 | — | — | |
| SCHEMBL39040 | 0.67 | — | — | |
| SCHEMBL3274601 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101573450-B | The new gene relevant to glutaminyl cyclase | PROBIODRUG AG (DE) | 2015-12-16 | — | — | CN | disclosed |
| CN-1918131-B | Novel inhibitors of glutaminyl cyclase | PROBIODRUG AG | 2011-05-04 | — | — | CN | disclosed |
| US-7897633-B2 | Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism | PROBIODRUG AG (DE) | 2011-03-01 | — | — | US | disclosed |
| CN-101573450-A | Novel genes related to glutaminyl cyclase | PROBIODRUG AG (DE) | 2009-11-04 | — | — | CN | disclosed |
| US-20080114167-A1 | Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners | INFINITY DISCOVERY, INC. (US) | 2008-05-15 | — | — | US | disclosed |
| US-20080114167-A1 | Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners | INFINITY DISCOVERY, INC. (US) | 2008-05-15 | — | — | US | disclosed |
| US-7244861-B2 | Benzene compound and salt thereof | EISAI CO., LTD. (JP) | 2007-07-17 | — | — | US | disclosed |
| CN-1918131-A | Novel inhibitors of glutaminyl cyclase | PROBIODRUG AG (DE) | 2007-02-21 | — | — | CN | disclosed |
| US-20040138271-A1 | Benzene compound and salt thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1375472-A1 | BENZENE COMPOUND AND SALT THEREOF | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |