⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL669659 | 0.89 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL26482 | 0.80 | ALDH1A1 (0.32) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL10780176 | 0.79 | CYP1A2 (0.33) | — | |
| Oxalic Acid SCHEMBL3176058 | 0.79 | GLRA1 (0.32) | — | |
| Butane SCHEMBL3361432 | 0.76 | — | — | |
| Butane SCHEMBL4247130 | 0.76 | TSHR (0.31) | — | |
| Butane SCHEMBL1378345 | 0.76 | — | — | |
| Butane SCHEMBL10708661 | 0.75 | — | — | |
| Butane SCHEMBL6802767 | 0.74 | — | — | |
| Butane SCHEMBL10481894 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108570072-B | Method for synthesizing phosphonic acid modified graphene or phosphonate modified graphene | 新乡学院 | 2020-02-07 | — | — | CN | claimed |
| CN-108570072-B | Method for synthesizing phosphonic acid modified graphene or phosphonate modified graphene | 新乡学院 | 2020-02-07 | — | — | CN | disclosed |
| US-5208224-A | Phosphorus containing compounds as antihypercholesterolemic and antiatherosclerotic agents | WARNER-LAMBERT COMPANY (US) | 1993-05-04 | — | — | US | disclosed |
| US-4493931-A | REACTING PHOSPHORAMIDE WITH ALDEHYDE, THEN A BASE, HEATING, HYDROLYSIS, REDUCTION, AND ACID TREATMENT | SANOFI (FR) | 1985-01-15 | — | — | US | disclosed |
| US-4454073-A | HERBICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-06-12 | — | — | US | disclosed |
| EP-0063411-A1 | Substituted methanephoshonic acid derivatives, their use as herbicides, herbicidal compositions containing them, and processes for preparing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-10-27 | — | — | EP | disclosed |