⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8177593 | 0.94 | ATP4A (0.60) | — | |
| SCHEMBL8178451 | 0.91 | ATP4A (0.64) | — | |
| SCHEMBL27332132 | 0.90 | — | — | |
| SCHEMBL8194326 | 0.86 | ATP4A (0.62) | — | |
| SCHEMBL8187044 | 0.85 | — | — | |
| SCHEMBL8187635 | 0.85 | ATP4A (0.73) | — | |
| SCHEMBL8190801 | 0.85 | ATP4A (0.68) | — | |
| SCHEMBL8193239 | 0.84 | — | — | |
| SCHEMBL8189000 | 0.84 | ATP4A (0.59) | — | |
| SCHEMBL27339268 | 0.84 | ATP4A (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 |
|---|---|---|---|---|---|---|---|
| EP-0702672-B1 | SUBSTITUTED QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION | ASTRAZENECA AB (SE) | 2000-09-06 | — | — | EP | disclosed |
| US-6057396-A | INTERCALATE HAVING MOLAR RATIO OF MODIFIER TO INTERLAYER CATION OF ONE TO FIVE TO ACHIEVE SORPTION AND COMPLEXING BETWEEN ADJACENT LAYERS OF MATERIAL TO EXPAND SPACING | AMCOL INTERNATIONAL CORPORATION (US) | 2000-05-02 | — | — | US | 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 |