⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25602136 | 0.92 | — | — | |
| SCHEMBL25599386 | 0.92 | NR1H4 (0.31) | — | |
| SCHEMBL25599422 | 0.88 | HIF1A (0.40) | — | |
| SCHEMBL25599396 | 0.85 | HIF1A (0.30) | — | |
| SCHEMBL25599448 | 0.81 | HIF1A (0.33) | — | |
| SCHEMBL23971926 | 0.81 | HIF1A (0.42) | — | |
| SCHEMBL25599300 | 0.80 | HIF1A (0.41) | — | |
| SCHEMBL25599407 | 0.80 | HIF1A (0.41) | — | |
| SCHEMBL25599378 | 0.80 | HIF1A (0.41) | — | |
| SCHEMBL23971786 | 0.79 | HIF1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230172206-A1 | USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II | BASF SE (DE) | 2023-06-08 | — | — | US | disclosed |