⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7422163 | 1.00 | — | — | |
| SCHEMBL2399791 | 0.85 | — | — | |
| SCHEMBL7418051 | 0.85 | — | — | |
| SCHEMBL31228098 | 0.76 | CYP3A4 (0.42) | — | |
| SCHEMBL25873180 | 0.76 | CYP3A4 (0.42) | — | |
| SCHEMBL15124193 | 0.74 | — | — | |
| SCHEMBL6010063 | 0.74 | — | — | |
| SCHEMBL13068884 | 0.74 | — | — | |
| SCHEMBL2386755 | 0.74 | — | — | |
| SCHEMBL7955778 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0975612-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-0975612-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046582-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |