⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5011995 | 0.95 | — | — | |
| SCHEMBL5049431 | 0.81 | — | — | |
| SCHEMBL5031546 | 0.80 | SLC6A2 (0.32) | — | |
| SCHEMBL5026132 | 0.80 | — | — | |
| SCHEMBL4996992 | 0.79 | — | — | |
| SCHEMBL5025989 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL5046267 | 0.75 | — | — | |
| SCHEMBL5013788 | 0.73 | — | — | |
| SCHEMBL5033845 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL5033843 | 0.72 | ALDH1A1 (0.32) | — |
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-20080053835-A1 | Monomer Compound, Process for Producing the Same, Polymer Thereof, and Water-Based Curable Composition | KANSAI PAINT CO., LTD. (JP) | 2008-03-06 | — | — | US | disclosed |
| EP-1798218-A1 | MONOMER COMPOUND, PROCESS FOR PRODUCING THE SAME, POLYMER THEREOF, AND WATER-BASED CURABLE COMPOSITION | KANSAI PAINT CO., LTD. (JP) | 2007-06-20 | — | — | EP | disclosed |