⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14857340 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL24391449 | 0.72 | DYRK1A (0.38) | — | |
| Bicarbonate SCHEMBL4870657 | 0.72 | KDM4C (0.40) | — | |
| SCHEMBL9622992 | 0.68 | SCN4A (0.42) | — | |
| SCHEMBL9003126 | 0.65 | — | — | |
| SCHEMBL298871 | 0.62 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL31291200 | 0.62 | — | — | |
| SCHEMBL8953901 | 0.62 | CASR (0.44) | — | |
| SCHEMBL21503671 | 0.60 | — | — | |
| SCHEMBL25433809 | 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-105473585-A | Piperidinecarboxylic acid derivatives as fungicides | BAYER CROPSCIENCE AG | 2016-04-06 | — | — | CN | disclosed |