⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6159443 | 0.88 | — | — | |
| SCHEMBL7688559 | 0.85 | — | — | |
| SCHEMBL6158682 | 0.83 | — | — | |
| SCHEMBL6163660 | 0.80 | — | — | |
| SCHEMBL6160991 | 0.78 | CHEK2 (0.41) | — | |
| SCHEMBL6159500 | 0.77 | — | — | |
| SCHEMBL7087352 | 0.77 | KDM4E (0.45) | — | |
| SCHEMBL6160729 | 0.76 | — | — | |
| SCHEMBL6160963 | 0.75 | — | — | |
| SCHEMBL6159145 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1434772-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2005-05-04 | — | — | EP | disclosed |
| EP-1434772-A1 | COMPOUNDS AND METHODS | SmithKline Beecham Corporation (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003031434-A1 | COMPOUNDS AND METHODS | SMITH KLINE BEECHAM CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |
| WO-2001085167-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2001-11-15 | — | — | WO | disclosed |