⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17813825 | 0.82 | — | — | |
| SCHEMBL17935703 | 0.78 | — | — | |
| SCHEMBL9812157 | 0.74 | — | — | |
| SCHEMBL5455984 | 0.64 | — | — | |
| SCHEMBL17813824 | 0.63 | ALDH1A1 (0.49) | — | |
| SCHEMBL14721853 | 0.62 | — | — | |
| SCHEMBL17813822 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL13943545 | 0.60 | — | — | |
| SCHEMBL13507582 | 0.60 | — | — | |
| SCHEMBL12641370 | 0.59 | TYR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9497970-B2 | Pesticide compounds | BASF SE (DE) | 2016-11-22 | — | — | US | disclosed |
| US-20160157491-A1 | Pesticide Compounds | BASF SE (DE) | 2016-06-09 | — | — | US | disclosed |