⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1113629 | 1.00 | — | — | |
| SCHEMBL3597701 | 1.00 | — | — | |
| SCHEMBL1112652 | 0.94 | — | — | |
| SCHEMBL1540836 | 0.94 | — | — | |
| SCHEMBL1112650 | 0.94 | — | — | |
| SCHEMBL1113607 | 0.93 | — | — | |
| SCHEMBL1113604 | 0.93 | — | — | |
| SCHEMBL1541533 | 0.92 | — | — | |
| SCHEMBL1112529 | 0.92 | — | — | |
| SCHEMBL1541532 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7642260-B2 | N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide | ABBOTT LABORATORIES, INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-20050159427-A1 | N-acylsulfonamide apoptosis promoters | ABBOTT LABORATORIES | 2005-07-21 | — | — | US | disclosed |