⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2463385 | 0.70 | — | — | |
| SCHEMBL12642869 | 0.67 | — | — | |
| SCHEMBL11884471 | 0.67 | — | — | |
| SCHEMBL3021840 | 0.67 | — | — | |
| SCHEMBL6069426 | 0.67 | — | — | |
| Water SCHEMBL27643822 | 0.64 | — | — | |
| SCHEMBL130563 | 0.60 | — | — | |
| SCHEMBL23388554 | 0.56 | — | — | |
| SCHEMBL43778 | 0.55 | — | — | |
| SCHEMBL21357884 | 0.53 | — | — |
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-2382200-A1 | COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME | Universidade De Santiago De Compostela (ES) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010072813-A1 | COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME | UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) | 2010-07-01 | — | — | WO | disclosed |