⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8190097 | 0.93 | — | — | |
| SCHEMBL8187650 | 0.92 | — | — | |
| SCHEMBL8192274 | 0.90 | ATP4A (0.75) | — | |
| SCHEMBL7846181 | 0.89 | — | — | |
| SCHEMBL8194367 | 0.87 | ATP4A (0.61) | — | |
| SCHEMBL8178527 | 0.87 | — | — | |
| SCHEMBL9506605 | 0.86 | ATP4A (0.80) | — | |
| SCHEMBL8190133 | 0.86 | ATP4A (0.73) | — | |
| SCHEMBL8190470 | 0.85 | — | — | |
| SCHEMBL8178650 | 0.85 | ATP4A (0.69) | — |
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-0702672-B1 | SUBSTITUTED QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION | ASTRAZENECA AB (SE) | 2000-09-06 | — | — | EP | disclosed |
| US-5889021-A | GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; ANTIINFLAMMATORY AGENTS | ASTRA AKTIEBOLAG (SE) | 1999-03-30 | — | — | US | disclosed |
| US-5556863-A | ANTIINFLAMMATORY AGENTS AND ANTISECRETORY AGENTS FOR GASTRIC JUICE | ASTRA AKTIEBOLAG (SE) | 1996-09-17 | — | — | US | disclosed |