⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7495327 | 0.91 | MEN1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL7496710 | 0.84 | KCNH2 (0.33) | — | |
| SCHEMBL9207351 | 0.83 | MEN1 (0.39) | — | |
| SCHEMBL9214867 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL9210704 | 0.82 | DPP4 (0.40) | — | |
| SCHEMBL9212277 | 0.81 | CACNA1F (0.40) | — | |
| SCHEMBL7496146 | 0.81 | KCNH2 (0.40) | — | |
| SCHEMBL7501610 | 0.80 | KCNH2 (0.37) | — | |
| SCHEMBL7496654 | 0.80 | KCNH2 (0.37) | — | |
| SCHEMBL7494369 | 0.80 | KCNH2 (0.37) | — |
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-0944385-B1 | USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH | BAYER AG (DE) | 2002-10-16 | — | — | EP | disclosed |