⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3164277 | 0.80 | — | — | |
| SCHEMBL628753 | 0.78 | — | — | |
| SCHEMBL182005 | 0.77 | — | — | |
| SCHEMBL28888241 | 0.76 | ALDH1A1 (0.36) | — | |
| Chloroform SCHEMBL28431511 | 0.76 | MGAM (0.45) | — | |
| SCHEMBL28670785 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL29046837 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL28950255 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL11742055 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL29053222 | 0.74 | ALDH1A1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221739-B2 | Methylene beta-diketone monomers, methods for making methylene beta-diketone monomers, polymerizable compositions and products formed therefrom | SIRRUS, INC. (US) | 2015-12-29 | — | — | US | disclosed |