⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2158806 | 0.69 | — | — | |
| SCHEMBL10998095 | 0.67 | NSD2 (0.30) | — | |
| SCHEMBL28186342 | 0.65 | — | — | |
| SCHEMBL351951 | 0.65 | — | — | |
| SCHEMBL14637621 | 0.65 | — | — | |
| SCHEMBL2335522 | 0.61 | — | — | |
| SCHEMBL4057060 | 0.58 | — | — | |
| SCHEMBL31348874 | 0.52 | NSD2 (0.63) | — | |
| 1-Aminocyclopropane Carboxylic Acid SCHEMBL21462059 | 0.52 | NSD2 (0.63) | — | |
| SCHEMBL23829614 | 0.49 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107237-A1 | Hybrid Zeolitic Imidazolate Frameworks Controlling Framework Porosity and Functionality by a Mixed-Ligand Synthetic Approach | GEORGIA TECH RESEARCH CORPORATION (US) | 2017-04-20 | — | — | US | disclosed |
| US-9527872-B2 | Hybrid zeolitic imidazolate frameworks: controlling framework porosity and functionality by a mixed-ligand synthetic approach | GEORGIA TECH RESEARCH CORPORATION (US) | 2016-12-27 | — | — | US | disclosed |
| US-8563464-B2 | Use of porous metal-organic framework materials for color marking of filters | BASF SE (DE) | 2013-10-22 | — | — | US | disclosed |
| US-20130197235-A1 | Hybrid Zeolitic Imidazolate Frameworks: Controlling Framework Porosity and Functionality by a Mixed-Ligand Synthetic Approach | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-08-01 | — | — | US | disclosed |
| US-20100331176-A1 | USE OF POROUS METAL-ORGANIC FRAMEWORK MATERIALS FOR COLOR MARKING OF FILTERS | BASF SE (DE) | 2010-12-30 | — | — | US | disclosed |