⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1720396 | 0.93 | — | — | |
| SCHEMBL13683356 | 0.91 | — | — | |
| SCHEMBL18432801 | 0.86 | — | — | |
| SCHEMBL2058185 | 0.82 | — | — | |
| SCHEMBL11470566 | 0.80 | NFKB1 (0.35) | — | |
| SCHEMBL1719707 | 0.80 | CYP2C9 (0.33) | — | |
| Monoethanolamine SCHEMBL21635468 | 0.79 | ALDH1A1 (0.57) | — | |
| SCHEMBL33394 | 0.76 | LCK (0.48) | — | |
| SCHEMBL1062510 | 0.76 | LCK (0.48) | — | |
| SCHEMBL62953 | 0.76 | ALDH1A1 (0.44) | — |
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-104812766-B | For the method for synthesizing amino alkylene phosphonic acids | 斯特雷特马克控股股份公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-104812766-A | Method for synthesis of aminoalkylenephosphonic acid | STRAITMARK HOLDING AG | 2015-07-29 | — | — | CN | disclosed |