⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7629407 | 0.77 | — | — | |
| SCHEMBL2141526 | 0.71 | — | — | |
| SCHEMBL15905679 | 0.71 | — | — | |
| Fluoride SCHEMBL19812463 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1513859 | 0.69 | — | — | |
| SCHEMBL24062610 | 0.69 | — | — | |
| SCHEMBL431734 | 0.67 | KDM4E (0.40) | — | |
| SCHEMBL5527104 | 0.67 | — | — | |
| SCHEMBL208619 | 0.67 | — | — | |
| SCHEMBL18676958 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3013821-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014206896-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2014-12-31 | — | — | WO | disclosed |