⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11465086 | 0.98 | MEN1 (0.31) | — | |
| SCHEMBL14136150 | 0.72 | CYP2D6 (0.32) | — | |
| SCHEMBL7200647 | 0.72 | CYP2D6 (0.32) | — | |
| SCHEMBL23506621 | 0.69 | — | — | |
| SCHEMBL24481423 | 0.69 | — | — | |
| SCHEMBL10875878 | 0.65 | FDPS (0.34) | — | |
| SCHEMBL2830205 | 0.64 | — | — | |
| SCHEMBL6903897 | 0.64 | — | — | |
| SCHEMBL5544091 | 0.64 | — | — | |
| SCHEMBL15594561 | 0.64 | — | — |
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-107072206-A | Pesticidal combination and correlation technique | 美国陶氏益农公司 | 2017-08-18 | — | — | CN | disclosed |