⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329850 | 0.75 | — | — | |
| SCHEMBL1551404 | 0.73 | — | — | |
| Iodide SCHEMBL31261479 | 0.73 | — | — | |
| SCHEMBL6033539 | 0.73 | — | — | |
| SCHEMBL10907102 | 0.72 | — | — | |
| SCHEMBL23883124 | 0.71 | — | — | |
| SCHEMBL7195013 | 0.71 | — | — | |
| SCHEMBL6810646 | 0.71 | — | — | |
| SCHEMBL7045792 | 0.71 | — | — | |
| SCHEMBL6337465 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0432920-B1 | Polymer-modified cements with improved chemical resistance | ROHM & HAAS (US) | 1995-04-05 | — | — | EP | disclosed |
| US-5162060-A | Acrylic Polymer Containing Ureido Group, Epoxy Resin | ROHM AND HAAS COMPANY (US) | 1992-11-10 | — | — | US | disclosed |
| EP-0432920-A2 | Polymer-modified cements with improved chemical resistance | ROHM AND HAAS COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |