⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL30947434 | 0.93 | GRIK1 (0.46) | — | |
| SCHEMBL27045 | 0.79 | — | — | |
| SCHEMBL800055 | 0.79 | — | — | |
| SCHEMBL1875407 | 0.79 | — | — | |
| SCHEMBL9222945 | 0.78 | GRIK1 (0.56) | — | |
| SCHEMBL21635662 | 0.77 | GRIK1 (0.52) | — | |
| SCHEMBL21635666 | 0.77 | GRIK1 (0.52) | — | |
| SCHEMBL21635659 | 0.77 | GRIK1 (0.52) | — | |
| SCHEMBL4466707 | 0.77 | — | — | |
| SCHEMBL1903029 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3861976-B1 | DENTAL MATERIALS BASED ON CYCLOPOLYMERISABLE CROSS-LINKING AGENTS | IVOCLAR VIVADENT AG (LI) | 2022-03-30 | — | — | EP | disclosed |
| EP-3861976-A1 | DENTAL MATERIALS BASED ON CYCLOPOLYMERISABLE CROSS-LINKING AGENTS | Ivoclar Vivadent AG (LI) | 2021-08-11 | — | — | EP | disclosed |
| US-9040602-B2 | Dental materials on the basis of highly acidic polymerizable bisphosphonic acids | IVOCLAR VIVADENT AG (LI) | 2015-05-26 | — | — | US | disclosed |
| US-20140296364-A1 | Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids | IVOCLAR VIVADENT AG (LI) | 2014-10-02 | — | — | US | disclosed |
| US-7976921-B2 | Release agent composition and release liner | LINTEC CORPORATION (JP) | 2011-07-12 | — | — | US | disclosed |
| US-20070112142-A1 | Release agent composition and release liner | LINTEC CORPORATION (JP) | 2007-05-17 | — | — | US | disclosed |
| US-6361653-B2 | MIXTURE WITH HIGH MOLECULAR WEIGHT FLOCCULANT AND, OR STARCH | NALCO CHEMICAL COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-3955030-A | ASBESTOS FIBERS, BINDERS, PLASTICIZED RESIN | CONGOLEUM INDUSTRIES, INC. (US) | 1976-05-04 | — | — | US | disclosed |