⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1888581 | 0.85 | — | — | |
| SCHEMBL2949069 | 0.83 | BHMT (0.31) | — | |
| SCHEMBL1890963 | 0.77 | — | — | |
| SCHEMBL1884028 | 0.77 | — | — | |
| SCHEMBL1883348 | 0.77 | — | — | |
| SCHEMBL349079 | 0.74 | — | — | |
| SCHEMBL10596251 | 0.70 | GSR (0.56) | — | |
| SCHEMBL25544123 | 0.70 | GSR (0.56) | — | |
| SCHEMBL2393781 | 0.70 | — | — | |
| SCHEMBL19669017 | 0.70 | GSR (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | claimed |
| WO-2004000855-A1 | COMBINATION OF AN ACID SECRETION INHIBITING AGENT AND A REFLUX INHIBITOR FOR THE TREATMENT OF GERD | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | disclosed |
| WO-2004000856-A1 | COMBINATION OF A REFLUX INHIBITOR AND AN IMIDAZOPYRIDINE FOR THE TREATMENT OF GERD | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | disclosed |
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | disclosed |