⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1994879 | 0.85 | KDM4E (0.36) | — | |
| SCHEMBL1995792 | 0.78 | HTR6 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL1997380 | 0.78 | HTR6 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4409732 | 0.76 | HTR6 (0.37) | — | |
| SCHEMBL1998581 | 0.75 | OPRK1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL1998089 | 0.74 | HTR6 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL1998907 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL2003639 | 0.72 | HTR6 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL1999647 | 0.72 | HTR6 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL1996456 | 0.71 | HTR6 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091953-A1 | 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS | BIOVITRUM AB (publ) (SE) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008054288-A1 | 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS | BIOVITRUM AB (PUBL) (SE) | 2008-05-08 | — | — | WO | disclosed |