⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6566299 | 0.80 | — | — | |
| SCHEMBL5131319 | 0.66 | THRA (0.31) | — | |
| SCHEMBL5914620 | 0.64 | — | — | |
| SCHEMBL380104 | 0.63 | — | — | |
| SCHEMBL3220863 | 0.63 | FSCN1 (0.30) | — | |
| SCHEMBL20459829 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL8149809 | 0.61 | — | — | |
| SCHEMBL14495451 | 0.60 | SLC29A1 (0.35) | — | |
| SCHEMBL4434609 | 0.60 | BCHE (0.30) | — | |
| SCHEMBL5116169 | 0.60 | ALDH1A1 (0.33) | — |
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-2854532-A1 | COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE | Bayer Cropscience AG (DE) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013178663-A1 | COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE | BAYER CROPSCIENCE AG (DE) | 2013-12-05 | — | — | WO | disclosed |