⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183809 | 1.00 | — | — | |
| SCHEMBL183480 | 0.93 | — | — | |
| SCHEMBL4820322 | 0.91 | MEN1 (0.32) | — | |
| SCHEMBL7693908 | 0.87 | — | — | |
| SCHEMBL11907975 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL11321713 | 0.71 | — | — | |
| SCHEMBL79345 | 0.71 | NOS2 (0.33) | — | |
| SCHEMBL7047958 | 0.70 | — | — | |
| SCHEMBL2876489 | 0.70 | — | — | |
| SCHEMBL11907951 | 0.67 | MEN1 (0.38) | — |
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-0885887-B1 | Sulfonamide inhibitors of HIV-Aspartyl protease | VERTEX PHARMA (US) | 2003-05-28 | — | — | EP | disclosed |