⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18954995 | 0.76 | — | — | |
| Vinyl Chloride SCHEMBL10825577 | 0.72 | — | — | |
| Propene SCHEMBL10453078 | 0.72 | — | — | |
| Ethylene SCHEMBL15798932 | 0.71 | — | — | |
| SCHEMBL166 | 0.71 | — | — | |
| SCHEMBL8404098 | 0.71 | — | — | |
| SCHEMBL530 | 0.71 | — | — | |
| SCHEMBL1345821 | 0.71 | — | — | |
| SCHEMBL18632221 | 0.71 | — | — | |
| SCHEMBL23581253 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680260-B2 | 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same | RIKEN (JP) | 2014-03-25 | — | — | US | disclosed |
| EP-2500338-A1 | F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME | Riken (JP) | 2012-09-19 | — | — | EP | disclosed |
| US-20120101266-A1 | 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME | RIKEN (JP) | 2012-04-26 | — | — | US | disclosed |