⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10787408 | 0.81 | — | — | |
| SCHEMBL3100470 | 0.79 | HSD17B10 (0.33) | — | |
| SCHEMBL5107443 | 0.76 | RELA (0.39) | — | |
| SCHEMBL7881734 | 0.75 | — | — | |
| SCHEMBL9233467 | 0.73 | — | — | |
| SCHEMBL11220800 | 0.70 | RELA (0.32) | — | |
| SCHEMBL9235692 | 0.70 | CA1 (0.50) | — | |
| SCHEMBL25381966 | 0.68 | GRIA1 (0.37) | — | |
| SCHEMBL10854599 | 0.67 | — | — | |
| SCHEMBL1445474 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161480-A1 | N-iodine propargyl-chloromethanesulfonamide | BAYER AG (DE) | 1985-11-21 | — | — | EP | disclosed |