⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8352247 | 0.75 | LDHA (0.50) | — | |
| SCHEMBL29162925 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL8638776 | 0.72 | LDHA (0.35) | — | |
| SCHEMBL692743 | 0.72 | — | — | |
| SCHEMBL427699 | 0.72 | — | — | |
| SCHEMBL15976374 | 0.71 | — | — | |
| SCHEMBL9509093 | 0.69 | LDHA (0.44) | — | |
| SCHEMBL5544830 | 0.69 | — | — | |
| SCHEMBL30441811 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL27596076 | 0.69 | EGLN1 (0.43) | — |
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-4559083-A | CONTROLLING MONO-AND DICOTYLEDONOUS WEEDS USING A MIXTURE ALSO INCLUDING A DILUENT AND SURFACTANT | ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) | 1985-12-17 | — | — | US | disclosed |