⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8409940 | 0.76 | — | — | |
| SCHEMBL18497922 | 0.62 | — | — | |
| SCHEMBL29361282 | 0.62 | — | — | |
| SCHEMBL22202632 | 0.61 | PDK2 (0.34) | — | |
| SCHEMBL1232463 | 0.60 | MAOB (0.40) | — | |
| SCHEMBL7024736 | 0.60 | TYMS (0.37) | — | |
| SCHEMBL29608923 | 0.58 | PDK2 (0.50) | — | |
| SCHEMBL6316881 | 0.58 | PDK2 (0.50) | — | |
| SCHEMBL11585711 | 0.58 | PDK2 (0.33) | — | |
| SCHEMBL4097564 | 0.57 | PDK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018134127-A1 | FUNGICIDAL PYRIDINE COMPOUNDS | BASF SE (DE) | 2018-07-26 | — | — | WO | disclosed |