⚠ 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 | |
|---|---|---|---|---|
| Ethyl Hydrogen Phosphonate SCHEMBL28925 | 0.97 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL29833476 | 0.97 | ALDH1A1 (0.35) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL10454675 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL8819664 | 0.93 | ALDH1A1 (0.33) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL3978119 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL11124595 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL7193350 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL7183165 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL21178179 | 0.93 | — | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL676703 | 0.93 | — | — |
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-110833769-B | Layered zirconium phosphate-based molecular sieve membrane and preparation method thereof | 大连理工大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-110833769-A | Layered zirconium phosphate-based molecular sieve membrane and preparation method thereof | 大连理工大学 | 2020-02-25 | — | — | CN | disclosed |