⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL237880 | 0.74 | — | — | |
| SCHEMBL156789 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL3424766 | 0.70 | — | — | |
| SCHEMBL9687844 | 0.69 | — | — | |
| SCHEMBL4556843 | 0.68 | — | — | |
| SCHEMBL1489814 | 0.68 | — | — | |
| SCHEMBL10631360 | 0.67 | ALDH1A1 (0.31) | — | |
| Acrylamide SCHEMBL5945502 | 0.67 | TSHR (0.48) | — | |
| SCHEMBL3778981 | 0.67 | — | — | |
| SCHEMBL35770 | 0.67 | — | — |
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-0100909-B1 | HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE | STAUFFER CHEMICAL COMPANY (US) | 1986-06-04 | — | — | EP | claimed |