⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5026024 | 1.00 | — | — | |
| SCHEMBL5031419 | 0.94 | MEN1 (0.31) | — | |
| SCHEMBL5031417 | 0.94 | MEN1 (0.31) | — | |
| SCHEMBL5035321 | 0.78 | — | — | |
| SCHEMBL7592386 | 0.72 | — | — | |
| SCHEMBL5014344 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL5044479 | 0.71 | — | — | |
| SCHEMBL5044475 | 0.71 | — | — | |
| SCHEMBL5028801 | 0.70 | — | — | |
| SCHEMBL5028800 | 0.70 | — | — |
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 |