⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872408 | 0.61 | — | — | |
| SCHEMBL11077248 | 0.52 | — | — | |
| SCHEMBL9471431 | 0.51 | — | — | |
| SCHEMBL1176606 | 0.48 | — | — | |
| SCHEMBL5681189 | 0.47 | — | — | |
| SCHEMBL2029571 | 0.47 | — | — | |
| SCHEMBL2811111 | 0.47 | — | — | |
| SCHEMBL2811107 | 0.47 | — | — | |
| SCHEMBL9329480 | 0.47 | — | — | |
| SCHEMBL4131164 | 0.47 | — | — |
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-20100022804-A1 | PROCESS FOR THE PRODUCTION OF FLUORINATED AROMATIC RINGS BY SIMULTANEOUS COOLING AND MICROWAVE HEATED HALOGEN EXCHANGE | Pearhill Technologies LLC | 2010-01-28 | — | — | US | disclosed |