⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4593083 | 0.77 | — | — | |
| SCHEMBL27531488 | 0.77 | — | — | |
| SCHEMBL692282 | 0.75 | — | — | |
| SCHEMBL18775223 | 0.70 | — | — | |
| SCHEMBL20727001 | 0.68 | — | — | |
| SCHEMBL17629784 | 0.67 | — | — | |
| SCHEMBL27877022 | 0.64 | — | — | |
| SCHEMBL3559093 | 0.64 | — | — | |
| SCHEMBL28111882 | 0.60 | — | — | |
| SCHEMBL17307519 | 0.59 | — | — |
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-105705503-B | As the heteroaryl piperidine of fungicide and the malonic ester derivatives of heteroaryl piperazine | 拜耳作物科学股份公司 | 2019-07-09 | — | — | CN | disclosed |