⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5203889 | 0.70 | — | — | |
| SCHEMBL1828221 | 0.63 | CALM1 (0.42) | — | |
| SCHEMBL9324522 | 0.56 | — | — | |
| SCHEMBL2044415 | 0.56 | — | — | |
| SCHEMBL12817433 | 0.56 | — | — | |
| SCHEMBL6152537 | 0.56 | — | — | |
| SCHEMBL1397461 | 0.56 | — | — | |
| SCHEMBL28622064 | 0.55 | — | — | |
| SCHEMBL4724366 | 0.54 | — | — | |
| SCHEMBL18698360 | 0.53 | — | — |
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-0579810-A1 | NOVEL PYRETHRINOID ESTERS DERIVED FROM ISOXAZOLIC OR ISOTHIAZOLIC ALCOHOL, PREPARATION METHOD THEREFOR AND USE THEREOF AS PESTICIDES | ROUSSEL UCLAF (FR) | 1994-01-26 | — | — | EP | disclosed |
| WO-1993016054-A1 | NOVEL PYRETHRINOID ESTERS DERIVED FROM ISOXAZOLIC OR ISOTHIAZOLIC ALCOHOL, PREPARATION METHOD THEREFOR AND USE THEREOF AS PESTICIDES | ROUSSEL-UCLAF (FR) | 1993-08-19 | — | — | WO | disclosed |