⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10992203 | 0.91 | CA2 (0.30) | — | |
| SCHEMBL9766196 | 0.81 | GCGR (0.33) | — | |
| SCHEMBL16291780 | 0.79 | NQO1 (0.38) | — | |
| SCHEMBL27748090 | 0.78 | NQO1 (0.31) | — | |
| SCHEMBL12232722 | 0.77 | NQO1 (0.36) | — | |
| SCHEMBL9766111 | 0.74 | CA2 (0.43) | — | |
| SCHEMBL9785401 | 0.73 | LTA4H (0.41) | — | |
| SCHEMBL10019884 | 0.70 | NQO1 (0.32) | — | |
| SCHEMBL9766163 | 0.70 | — | — | |
| SCHEMBL13644277 | 0.69 | NQO1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0266947-B1 | HALOGENATED ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | disclosed |
| US-4853414-A | 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-08-01 | — | — | US | disclosed |
| EP-0266947-A2 | Halogenated esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-11 | — | — | EP | disclosed |