⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14925903 | 0.63 | — | — | |
| SCHEMBL18880889 | 0.57 | — | — | |
| SCHEMBL13870996 | 0.55 | — | — | |
| SCHEMBL9255514 | 0.55 | — | — | |
| SCHEMBL14925901 | 0.54 | — | — | |
| SCHEMBL14925904 | 0.53 | — | — | |
| SCHEMBL5539361 | 0.53 | — | — | |
| SCHEMBL12227070 | 0.53 | — | — | |
| SCHEMBL14925921 | 0.52 | — | — | |
| SCHEMBL8619911 | 0.47 | — | — |
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-2264011-A1 | Heteroarylamidines and their use as fungicides | Bayer CropScience AG (DE) | 2010-12-22 | — | — | EP | disclosed |