⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9687927 | 0.89 | ATP4A (0.41) | — | |
| SCHEMBL9686873 | 0.87 | — | — | |
| SCHEMBL9687843 | 0.83 | ATP1A1 (0.30) | — | |
| SCHEMBL9688025 | 0.83 | ATP4A (0.43) | — | |
| SCHEMBL10752617 | 0.82 | ATP4A (0.43) | — | |
| SCHEMBL9686836 | 0.82 | ATP4A (0.43) | — | |
| SCHEMBL9688510 | 0.80 | WDR5 (0.41) | — | |
| SCHEMBL9688809 | 0.79 | ATP4A (0.34) | — | |
| SCHEMBL9688807 | 0.79 | CYP1A2 (0.45) | — | |
| SCHEMBL9688518 | 0.78 | ATP4A (0.43) | — |
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 2 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 |