⚠ 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 | |
|---|---|---|---|---|
| Methylethylamine SCHEMBL11299527 | 0.82 | — | — | |
| Diethylamine SCHEMBL19615008 | 0.79 | — | — | |
| Diethylamine SCHEMBL19615007 | 0.79 | TP53 (0.57) | — | |
| Phosphonic Acid SCHEMBL7030935 | 0.79 | HDAC3 (0.30) | — | |
| Diethylamine SCHEMBL30789030 | 0.79 | TP53 (0.57) | — | |
| Phosphonic Acid SCHEMBL10451759 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL8445453 | 0.76 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL64852 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL7230 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL3793734 | 0.76 | ALDH1A1 (0.33) | — |
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 5 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-4804500-A | Amine dealkylation process | MONSANTO COMPANY (US) | 1989-02-14 | — | — | US | disclosed |
| EP-0199702-B1 | AMINE DEALKYLATION PROCESS | Monsanto Company (US) | 1988-12-21 | — | — | EP | disclosed |
| EP-0199702-A1 | Amine dealkylation process | Monsanto Company (US) | 1986-10-29 | — | — | EP | disclosed |
| EP-0186648-A1 | Process for the preparation of glyphosate and glyphosate derivatives | Monsanto Company (US) | 1986-07-02 | — | — | EP | disclosed |