⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1894921 | 0.97 | — | — | |
| SCHEMBL28298705 | 0.94 | — | — | |
| SCHEMBL29084211 | 0.82 | GRIN2D (0.34) | — | |
| SCHEMBL28341000 | 0.65 | — | — | |
| SCHEMBL2662014 | 0.63 | — | — | |
| SCHEMBL3949080 | 0.63 | — | — | |
| SCHEMBL30475376 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL5827281 | 0.62 | — | — | |
| SCHEMBL29278232 | 0.62 | — | — | |
| SCHEMBL30659527 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101765599-B | Tropane derivatives as pesticides | SYNGENTA PARTICIPATIONS AG | 2012-08-22 | — | — | CN | disclosed |