⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6751952 | 0.80 | TYMS (0.31) | — | |
| SCHEMBL5604146 | 0.78 | BTN3A1 (0.32) | — | |
| SCHEMBL6263428 | 0.74 | — | — | |
| SCHEMBL10334499 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL18393481 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL6756753 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL6756756 | 0.70 | — | — | |
| SCHEMBL4880764 | 0.70 | CYP3A4 (0.34) | — | |
| SCHEMBL3809732 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL6264155 | 0.69 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6710149-B2 | USE OF ACRYLOPHOSPHONIC ACID AS A COMPONENT OF AN ADHESIVE, OF A POLYMER, OF A COMPOSITE, OF A CEMENT, OF A MOLDED ARTICLE AND IN PARTICULAR OF A DENTAL MATERIAL | IVOCLAR VIVADENT AG (LI) | 2004-03-23 | — | — | US | disclosed |
| EP-1148060-B1 | Hydrolysis-stable and polymerisable acrylphosphonic acids | IVOCLAR VIVADENT AG (LI) | 2003-09-10 | — | — | EP | disclosed |
| US-20020016384-A1 | Hydrolysis-stable and polymerizable acrylophosphonic acid | IVOCLAR VIVADENT AG. | 2002-02-07 | — | — | US | disclosed |
| EP-1148060-A1 | Hydrolysis-stable and polymerisable acrylphosphonic acids | Ivoclar Vivadent AG (LI) | 2001-10-24 | — | — | EP | disclosed |