⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18724712 | 0.82 | — | — | |
| SCHEMBL256066 | 0.80 | — | — | |
| SCHEMBL1379043 | 0.80 | — | — | |
| SCHEMBL6009379 | 0.80 | — | — | |
| Fluoride SCHEMBL27648634 | 0.77 | — | — | |
| Tetramethylene Sulfoxide SCHEMBL27830 | 0.77 | — | — | |
| SCHEMBL3517557 | 0.73 | — | — | |
| Tetramethylene Sulfoxide SCHEMBL27262519 | 0.73 | — | — | |
| SCHEMBL3067445 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL3066992 | 0.73 | NOS1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070088001-A1 | Silinane compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2007-04-19 | — | — | US | disclosed |
| EP-1716158-A2 | SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering Aktiengesellschaft (DE) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005074904-A2 | SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-08-18 | — | — | WO | disclosed |