⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752177 | 0.78 | — | — | |
| SCHEMBL491309 | 0.73 | — | — | |
| SCHEMBL3118116 | 0.71 | — | — | |
| SCHEMBL17599080 | 0.69 | — | — | |
| SCHEMBL12140011 | 0.69 | — | — | |
| SCHEMBL7817631 | 0.69 | — | — | |
| SCHEMBL20051942 | 0.65 | — | — | |
| SCHEMBL25474271 | 0.65 | — | — | |
| SCHEMBL13391567 | 0.65 | — | — | |
| SCHEMBL9484605 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087731-A1 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |