⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6215658 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL6212294 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL4763166 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL6211983 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL6218453 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL6212255 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL6219076 | 0.80 | — | — | |
| SCHEMBL6211072 | 0.80 | — | — | |
| SCHEMBL6258793 | 0.78 | — | — | |
| SCHEMBL6214233 | 0.75 | GBA1 (0.31) | — |
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-1307203-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-17 | — | — | EP | claimed |
| EP-1307203-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-05-07 | — | — | EP | claimed |
| WO-2001070232-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-27 | — | — | WO | claimed |