⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19667914 | 0.85 | — | — | |
| SCHEMBL29004106 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL29300077 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL31189828 | 0.80 | — | — | |
| SCHEMBL29300049 | 0.78 | MEN1 (0.32) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL2410410 | 0.74 | TSHR (1.00) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL1462 | 0.74 | — | — | |
| Tetraethylene Glycol SCHEMBL27689362 | 0.74 | MEN1 (0.65) | — | |
| SCHEMBL331861 | 0.74 | — | — | |
| SCHEMBL24051958 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5024694-A | Pre and postemergence herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-18 | — | — | US | disclosed |