⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3512841 | 1.00 | — | — | |
| SCHEMBL4946283 | 0.80 | — | — | |
| SCHEMBL1289829 | 0.79 | — | — | |
| SCHEMBL5049589 | 0.77 | ECE1 (0.32) | — | |
| SCHEMBL2142444 | 0.77 | ECE1 (0.32) | — | |
| SCHEMBL8837390 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL8211133 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL754344 | 0.76 | — | — | |
| SCHEMBL4100931 | 0.76 | — | — | |
| SCHEMBL2582192 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | claimed |
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| US-8067456-B2 | Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) | AETERNA ZENTARIS GMBH (DE) | 2011-11-29 | — | — | US | disclosed |
| US-20080280965-A1 | Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) | KLAUS PAULINI, ET AL. | 2008-11-13 | — | — | US | disclosed |
| US-7375127-B2 | Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) | AE ZENTARIS GMBH (DE) | 2008-05-20 | — | — | US | disclosed |
| US-20060014818-A1 | Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT | 2006-01-19 | — | — | US | disclosed |