⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20746452 | 0.79 | — | — | |
| SCHEMBL1009292 | 0.79 | — | — | |
| SCHEMBL9568970 | 0.79 | — | — | |
| SCHEMBL6972528 | 0.79 | — | — | |
| SCHEMBL9568892 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28652061 | 0.78 | ALDH1A1 (0.59) | — | |
| SCHEMBL149729 | 0.76 | — | — | |
| SCHEMBL175249 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL28027939 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL837325 | 0.75 | ALDH1A1 (0.55) | — |
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 |