⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9688061 | 0.87 | — | — | |
| SCHEMBL9687927 | 0.83 | ATP4A (0.41) | — | |
| SCHEMBL9687843 | 0.80 | ATP1A1 (0.30) | — | |
| SCHEMBL9688518 | 0.80 | ATP4A (0.43) | — | |
| SCHEMBL9688025 | 0.78 | ATP4A (0.43) | — | |
| SCHEMBL9687793 | 0.78 | CYP1A2 (0.42) | — | |
| SCHEMBL9531387 | 0.78 | ATP4A (0.37) | — | |
| SCHEMBL10752617 | 0.77 | ATP4A (0.43) | — | |
| SCHEMBL9686836 | 0.77 | ATP4A (0.43) | — | |
| SCHEMBL10711849 | 0.77 | ATP4A (0.30) | — |
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-0201575-B1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4686230-A | Picoline derivative useful as gastric acid secretion inhibitors | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1987-08-11 | — | — | US | disclosed |
| EP-0201575-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. | BYK GULDEN LOMBERG CHEM FAB (DE) | 1986-11-20 | — | — | EP | disclosed |
| WO-1986002646-A1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) | 1986-05-09 | — | — | WO | disclosed |