⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2597 | 0.83 | — | — | |
| Bicarbonate SCHEMBL28501524 | 0.81 | — | — | |
| Iodide SCHEMBL28838220 | 0.80 | — | — | |
| SCHEMBL29248306 | 0.80 | — | — | |
| SCHEMBL31507590 | 0.80 | — | — | |
| Bromide SCHEMBL460262 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL798293 | 0.80 | — | — | |
| Water SCHEMBL6400627 | 0.80 | — | — | |
| Acetic Acid SCHEMBL5316671 | 0.79 | — | — | |
| Sulfuric Acid SCHEMBL1100828 | 0.79 | NPSR1 (0.35) | — |
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-20040236144-A1 | Method for producing $g(a)-aminophosphonic acids | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-25 | — | — | US | disclosed |
| US-5099056-A | PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED-AMINOMETHYLPHOSPHONIC ACID DIALKYLESTERS AND OF THE CORRESPONDING ACIDS | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1992-03-24 | — | — | US | disclosed |