⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9265163 | 0.99 | — | — | |
| SCHEMBL9265517 | 0.90 | — | — | |
| SCHEMBL9270832 | 0.89 | ATP4A (0.74) | — | |
| Hydrochloric Acid SCHEMBL10532361 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL10532400 | 0.88 | — | — | |
| SCHEMBL9508768 | 0.88 | — | — | |
| SCHEMBL9506370 | 0.88 | — | — | |
| SCHEMBL9513364 | 0.87 | — | — | |
| SCHEMBL9268862 | 0.86 | — | — | |
| SCHEMBL9506605 | 0.86 | ATP4A (0.80) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330485-B1 | 4-AMINO-3-ACYL QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION | SmithKline Beecham Intercredit B.V. (NL) | 1993-05-26 | — | — | EP | claimed |