⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18752814 | 0.77 | — | — | |
| SCHEMBL4177076 | 0.77 | — | — | |
| SCHEMBL11578987 | 0.76 | THRB (0.40) | — | |
| SCHEMBL11578985 | 0.76 | THRB (0.40) | — | |
| SCHEMBL21456387 | 0.73 | — | — | |
| SCHEMBL25661050 | 0.71 | ARG2 (0.56) | — | |
| SCHEMBL25660386 | 0.71 | ARG2 (0.56) | — | |
| SCHEMBL25662012 | 0.71 | ARG2 (0.56) | — | |
| SCHEMBL3281389 | 0.68 | — | — | |
| SCHEMBL3281388 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160018344-A1 | SENSOR AND METHOD OF DETECTING AN ANALYTE USING 19F NMR | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2016-01-21 | — | — | US | disclosed |