⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3450938 | 0.98 | — | — | |
| SCHEMBL14342918 | 0.78 | PDE4B (0.32) | — | |
| SCHEMBL10546589 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5313449 | 0.77 | PDE4B (0.31) | — | |
| SCHEMBL14814069 | 0.76 | — | — | |
| SCHEMBL5099576 | 0.75 | PDE4B (0.33) | — | |
| SCHEMBL20240630 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL14813515 | 0.72 | PDE4B (0.31) | — | |
| SCHEMBL14759551 | 0.72 | PDE4B (0.31) | — | |
| SCHEMBL14813498 | 0.71 | SIGMAR1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079727-B1 | KINASE INHIBITOR COMPOUNDS | XCOVERY INC (US) | 2016-02-17 | — | — | EP | disclosed |
| US-8524709-B2 | Kinase inhibitor compounds | TYROGENEX, INC. (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120115866-A1 | KINASE INHIBITOR COMPOUNDS | TYROGENEX, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-20100261665-A1 | Kinase inhibitor compounds | XCOVERY, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-7683057-B2 | 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) | TYROGENEX, INC. (US) | 2010-03-23 | — | — | US | disclosed |
| EP-2079727-A2 | KINASE INHIBITOR COMPOUNDS | Xcovery, INC. (US) | 2009-07-22 | — | — | EP | disclosed |
| US-20090076005-A1 | Kinase inhibitor compounds | XCOVERY, INC. (US) | 2009-03-19 | — | — | US | disclosed |
| WO-2008033562-A2 | KINASE INHIBITOR COMPOUNDS | XCOVERY, INC. (US) | 2008-03-20 | — | — | WO | disclosed |