⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031398 | 1.00 | — | — | |
| SCHEMBL1030373 | 1.00 | — | — | |
| SCHEMBL2384954 | 0.75 | — | — | |
| SCHEMBL1433102 | 0.75 | — | — | |
| SCHEMBL1031399 | 0.75 | — | — | |
| SCHEMBL1030374 | 0.75 | — | — | |
| SCHEMBL8667515 | 0.75 | — | — | |
| SCHEMBL30730721 | 0.75 | — | — | |
| SCHEMBL1032096 | 0.73 | — | — | |
| SCHEMBL1031502 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473585-A | Piperidinecarboxylic acid derivatives as fungicides | BAYER CROPSCIENCE AG | 2016-04-06 | — | — | CN | claimed |
| 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 |
| CN-105705503-A | Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides | 拜耳作物科学股份公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-105473585-A | Piperidinecarboxylic acid derivatives as fungicides | BAYER CROPSCIENCE AG | 2016-04-06 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |