⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2120415 | 0.74 | — | — | |
| SCHEMBL243519 | 0.74 | — | — | |
| SCHEMBL14890131 | 0.71 | — | — | |
| SCHEMBL15859135 | 0.71 | — | — | |
| SCHEMBL8135004 | 0.71 | — | — | |
| Bicarbonate SCHEMBL28318899 | 0.71 | GRIK1 (0.35) | — | |
| SCHEMBL662803 | 0.69 | — | — | |
| SCHEMBL25085692 | 0.69 | — | — | |
| SCHEMBL15543654 | 0.69 | — | — | |
| SCHEMBL2791391 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200108-A | Esters as pesticides | BAYER AG (DE) | 1998-11-25 | — | — | CN | claimed |
| CN-1200108-A | Esters as pesticides | BAYER AG (DE) | 1998-11-25 | — | — | CN | disclosed |
| CN-1171775-A | Fluorobutenyl esters | BAYER AG (DE) | 1998-01-28 | — | — | CN | disclosed |