⚠ 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL22718869 | 0.83 | — | — | |
| 1,3-Propanediol SCHEMBL28605249 | 0.78 | — | — | |
| 2-Mercaptoethanol SCHEMBL8024077 | 0.76 | — | — | |
| 2-Mercaptoethanol SCHEMBL20214348 | 0.75 | — | — | |
| Acrolein SCHEMBL8850115 | 0.73 | — | — | |
| Acrolein SCHEMBL8532693 | 0.73 | — | — | |
| Acrolein SCHEMBL9860799 | 0.73 | — | — | |
| Acrolein SCHEMBL27498051 | 0.71 | — | — | |
| Acrolein SCHEMBL794083 | 0.71 | — | — | |
| 2-Mercaptoethanol SCHEMBL3727625 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4475943-A | Herbicidal α-hydroxy phosphonates | MONSANTO COMPANY (US) | 1984-10-09 | — | — | US | disclosed |
| US-4413125-A | α-Hydroxy phosphonates | MONSANTO COMPANY (US) | 1983-11-01 | — | — | US | disclosed |