⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1178667 | 0.76 | CYP2A6 (0.37) | — | |
| SCHEMBL3818873 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL5983902 | 0.68 | CYP1A2 (0.50) | — | |
| SCHEMBL10412952 | 0.68 | CYP1A2 (0.60) | — | |
| SCHEMBL107887 | 0.68 | CYP1A2 (0.50) | — | |
| SCHEMBL1233102 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL3840443 | 0.68 | CYP2A6 (0.56) | — | |
| SCHEMBL277621 | 0.68 | — | — | |
| SCHEMBL29272593 | 0.67 | LCK (0.39) | — | |
| SCHEMBL36452 | 0.67 | CYP2A6 (0.48) | — |
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-2091929-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | The European Molecular Biology Laboratory (DE) | 2009-08-26 | — | — | EP | claimed |
| WO-2007107352-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) | 2007-09-27 | — | — | WO | claimed |
| EP-2291365-A1 | 5-SUBSTITUTED ISOINDOLINE COMPOUNDS | CELGENE CORPORATION (US) | 2011-03-09 | — | — | EP | disclosed |
| WO-2009145899-A1 | 5-SUBSTITUTED ISOINDOLINE COMPOUNDS | CELGENE CORPORATION (US) | 2009-12-03 | — | — | WO | disclosed |
| EP-2091929-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | The European Molecular Biology Laboratory (DE) | 2009-08-26 | — | — | EP | disclosed |
| WO-2007115805-A2 | AURORA KINASE INHIBITORS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007113005-A2 | 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007107352-A1 | AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) | 2007-09-27 | — | — | WO | disclosed |