⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL18795134 | 0.88 | — | — | |
| SCHEMBL585572 | 0.87 | — | — | |
| Tert-Butanol SCHEMBL28539332 | 0.82 | ALDH1A1 (0.36) | — | |
| Phosphine SCHEMBL28364436 | 0.80 | — | — | |
| SCHEMBL28686738 | 0.80 | — | — | |
| SCHEMBL31553401 | 0.67 | — | — | |
| Tert-Butanol SCHEMBL1476689 | 0.67 | — | — | |
| Tert-Butanol SCHEMBL28146036 | 0.67 | — | — | |
| Chloromethane SCHEMBL4738665 | 0.63 | — | — | |
| Chloromethane SCHEMBL1397391 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2149586-B1 | AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE | MITSUBISHI GAS CHEMICAL CO (JP) | 2018-01-03 | — | — | EP | disclosed |
| US-8128782-B2 | Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20100160494-A1 | AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE | MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) | 2010-06-24 | — | — | US | disclosed |
| EP-2149586-A1 | AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE | Mitsubishi Gas Chemical Company, Inc. (JP) | 2010-02-03 | — | — | EP | disclosed |