⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14312291 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL14963100 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL8511504 | 0.80 | — | — | |
| SCHEMBL5669443 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL18394556 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL812061 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL12530121 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL11896924 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL15483710 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL13090500 | 0.72 | NPSR1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180036209-A1 | Dental Materials Based on Monofunctional Vinylcyclopropane Derivatives | IVOCLAR VIVADENT AG (LI) | 2018-02-08 | — | — | US | disclosed |
| US-9138382-B2 | Use of polymerizable macrocyclic polyethers and macrocyclic heteroanalogous polyethers in dental materials | IVOCLAR VIVADENT AG (LI) | 2015-09-22 | — | — | US | disclosed |
| US-8921450-B2 | Dental materials based on dimer acid derivatives with ring opening polymerizable groups | IVOCLAR VIVADENT AG (LI) | 2014-12-30 | — | — | US | disclosed |
| US-20120010322-A1 | Dental materials based on dimer acid derivatives with ring opening polymerizable groups | IVOCLAR VIVADENT AG (LI) | 2012-01-12 | — | — | US | disclosed |
| US-20110054066-A1 | USE OF POLYMERIZABLE MACROCYCLIC POLYETHERS AND MACROCYCLIC HETEROANALOGOUS POLYETHERS IN DENTAL MATERIALS | IVOCLAR VIVADENT AG (LI) | 2011-03-03 | — | — | US | disclosed |
| US-6034151-A | Hydrolyzable and polymerizable vinylcyclopropane silanes | IVOCLAR AG (LI) | 2000-03-07 | — | — | US | disclosed |