⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4076256 | 0.77 | IDO1 (0.35) | — | |
| SCHEMBL4499356 | 0.68 | — | — | |
| SCHEMBL26091 | 0.67 | — | — | |
| SCHEMBL19267584 | 0.64 | ABCG2 (0.36) | — | |
| SCHEMBL440760 | 0.63 | CDC25B (0.38) | — | |
| SCHEMBL4613888 | 0.61 | AURKA (0.31) | — | |
| SCHEMBL2452850 | 0.61 | IDO1 (0.41) | — | |
| SCHEMBL27907314 | 0.60 | — | — | |
| SCHEMBL16429644 | 0.60 | CDC25A (0.32) | — | |
| SCHEMBL5485107 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011088836-A1 | NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS | H. LUNDBECK A/S (DK) | 2011-07-28 | — | — | WO | disclosed |