⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55322 | 1.00 | — | — | |
| Fluoride SCHEMBL15271825 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL17710393 | 0.97 | — | — | |
| Trimethylammonium SCHEMBL9766821 | 0.88 | ALDH1A1 (0.52) | — | |
| SCHEMBL1689903 | 0.88 | TDP1 (0.48) | — | |
| Toluene SCHEMBL4307944 | 0.86 | LMNA (0.58) | — | |
| Trimethylammonium SCHEMBL8378507 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL28983294 | 0.84 | MAOB (0.40) | — | |
| SCHEMBL28726249 | 0.84 | CES1 (0.42) | — | |
| SCHEMBL13668400 | 0.82 | TAAR1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20120237444-A1 | IODINE RADIOLABELLING METHOD | GE HEALTHCARE LIMITED (GB) | 2012-09-20 | — | — | US | 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 |
| US-20100150835-A1 | Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate | GE HEALTHCARE LIMITED (GB) | 2010-06-17 | — | — | US | disclosed |