⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9093660 | 0.58 | PTGS2 (0.33) | — | |
| SCHEMBL9264616 | 0.58 | PTGS2 (0.30) | — | |
| SCHEMBL22834795 | 0.55 | PTGS2 (0.37) | — | |
| SCHEMBL2536715 | 0.53 | PTGS2 (0.40) | — | |
| SCHEMBL31207086 | 0.35 | — | — | |
| SCHEMBL19892737 | 0.35 | — | — | |
| SCHEMBL3477835 | 0.35 | — | — | |
| SCHEMBL5145 | 0.35 | — | — | |
| SCHEMBL3279403 | 0.35 | — | — | |
| SCHEMBL9159158 | 0.34 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0556123-A1 | Pyrethrinoid esters of thiazolylalcohols, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1993-08-18 | — | — | EP | disclosed |