⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2133131 | 0.85 | KDM4E (0.38) | — | |
| SCHEMBL16239630 | 0.83 | — | — | |
| SCHEMBL2137351 | 0.81 | CASR (0.31) | — | |
| SCHEMBL2137229 | 0.79 | F11 (0.34) | — | |
| SCHEMBL2133470 | 0.78 | F11 (0.36) | — | |
| SCHEMBL2135434 | 0.77 | PRKAG1 (0.37) | — | |
| SCHEMBL2137036 | 0.76 | F10 (0.32) | — | |
| SCHEMBL2138673 | 0.76 | LMNA (0.37) | — | |
| SCHEMBL2136556 | 0.75 | F11 (0.43) | — | |
| SCHEMBL16239484 | 0.73 | — | — |
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-2630124-B1 | TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | claimed |