⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL671575 | 0.75 | — | — | |
| SCHEMBL316136 | 0.71 | — | — | |
| SCHEMBL314937 | 0.70 | — | — | |
| SCHEMBL5208962 | 0.67 | — | — | |
| SCHEMBL2845242 | 0.65 | — | — | |
| SCHEMBL2180649 | 0.65 | — | — | |
| SCHEMBL15903962 | 0.63 | KMT2A (0.34) | — | |
| SCHEMBL5790573 | 0.62 | DUT (0.33) | — | |
| SCHEMBL15904250 | 0.61 | HSD17B10 (0.33) | — | |
| SCHEMBL9585 | 0.61 | — | — |
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 |