⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27298768 | 0.67 | — | — | |
| SCHEMBL8273747 | 0.65 | — | — | |
| SCHEMBL30219866 | 0.62 | — | — | |
| SCHEMBL30696109 | 0.62 | — | — | |
| SCHEMBL30874385 | 0.62 | — | — | |
| SCHEMBL28829629 | 0.60 | — | — | |
| SCHEMBL2387226 | 0.60 | — | — | |
| SCHEMBL5864696 | 0.58 | GSK3A (0.35) | — | |
| SCHEMBL2172092 | 0.58 | — | — | |
| SCHEMBL27484426 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102964350-A | 7-hexahydropyrrolo[1, 2-a]pyrazinylquinolonecarboxylic acid derivative and its application in treatment of Helicobacter pylori infections | YANG WEN | 2013-03-13 | — | — | CN | disclosed |
| CN-1668611-A | 1-[(indol-3-yl)carbonyl] piperazine derivatives | AKZO NOBEL NV (NL) | 2005-09-14 | — | — | CN | disclosed |