⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2643004 | 0.79 | — | — | |
| SCHEMBL770836 | 0.71 | — | — | |
| SCHEMBL4870221 | 0.68 | — | — | |
| SCHEMBL4914482 | 0.68 | BAZ2A (0.44) | — | |
| SCHEMBL2643633 | 0.67 | — | — | |
| SCHEMBL2643129 | 0.67 | — | — | |
| SCHEMBL2643639 | 0.67 | — | — | |
| SCHEMBL20508292 | 0.67 | — | — | |
| SCHEMBL8773773 | 0.67 | DRD2 (0.32) | — | |
| SCHEMBL22152328 | 0.64 | HRH1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804428-A1 | BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-11-05 | — | — | EP | claimed |