⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27408619 | 0.88 | — | — | |
| SCHEMBL1968733 | 0.81 | — | — | |
| SCHEMBL26926244 | 0.69 | — | — | |
| SCHEMBL3788999 | 0.69 | — | — | |
| SCHEMBL6699298 | 0.68 | — | — | |
| SCHEMBL28123014 | 0.66 | — | — | |
| SCHEMBL4797021 | 0.66 | — | — | |
| SCHEMBL44788 | 0.65 | MAOA (0.32) | — | |
| SCHEMBL9064612 | 0.64 | — | — | |
| SCHEMBL1664489 | 0.64 | — | — |
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-1476151-A1 | 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Akzo Nobel N.V. (NL) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003068220-A1 | 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | AKZO NOBEL N.V. (NL) | 2003-08-21 | — | — | WO | disclosed |