⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779549 | 0.73 | ACHE (0.31) | — | |
| SCHEMBL8893751 | 0.70 | — | — | |
| SCHEMBL779205 | 0.69 | MMP1 (0.37) | — | |
| SCHEMBL779759 | 0.68 | ACHE (0.41) | — | |
| SCHEMBL8884666 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL31590905 | 0.67 | ADH1A (0.33) | — | |
| SCHEMBL8893829 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL778453 | 0.66 | — | — | |
| SCHEMBL779423 | 0.65 | CYP3A4 (0.41) | — | |
| SCHEMBL14124688 | 0.63 | — | — |
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-20120302657-A1 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2012-11-29 | — | — | US | disclosed |
| US-20120302657-A1 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2012-11-29 | — | — | US | disclosed |