⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4371335 | 0.57 | — | — | |
| SCHEMBL15885867 | 0.51 | — | — | |
| SCHEMBL6272478 | 0.51 | — | — | |
| SCHEMBL18895576 | 0.47 | — | — | |
| SCHEMBL1867749 | 0.44 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.36 | — | — | |
| SCHEMBL348913 | 0.34 | AHR (0.67) | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.34 | — | — | |
| SCHEMBL7079561 | 0.34 | — | — | |
| Calcium Chloride SCHEMBL23441478 | 0.33 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6653258-B1 | Pyridinyl-substituted- methyl 3-methoxy-2-phenylacrylate derivatives; agricultural miticides and nematocides | SYNGENTA LIMITED (GB) | 2003-11-25 | — | — | US | disclosed |
| EP-0279122-B1 | REACTIVE DYES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0279122-A2 | Reactive dyes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-24 | — | — | EP | disclosed |