⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL141573 | 0.75 | — | — | |
| SCHEMBL12189698 | 0.73 | — | — | |
| SCHEMBL3439179 | 0.73 | — | — | |
| SCHEMBL5250595 | 0.73 | — | — | |
| SCHEMBL27532808 | 0.73 | — | — | |
| SCHEMBL7511925 | 0.73 | — | — | |
| SCHEMBL3439154 | 0.73 | — | — | |
| SCHEMBL28118479 | 0.70 | — | — | |
| SCHEMBL11150650 | 0.70 | CA1 (0.47) | — | |
| SCHEMBL9803781 | 0.70 | PGK1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117924362-A | Water-soluble functional auxiliary agent sodium 2, 3-epoxypropylphosphonate and preparation method and application thereof | 赤峰远邦化工有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117819742-A | Application of water-soluble functional auxiliary agent 2, 3-epoxypropylphosphine sodium in water treatment agent | 赤峰远邦化工有限公司 | 2024-04-05 | — | — | CN | disclosed |