⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL671340 | 1.00 | — | — | |
| SCHEMBL20036881 | 0.83 | MEN1 (0.41) | — | |
| SCHEMBL20591144 | 0.83 | IDO1 (0.35) | — | |
| SCHEMBL22620539 | 0.83 | IDO1 (0.46) | — | |
| SCHEMBL13499 | 0.78 | — | — | |
| Bromide SCHEMBL6770232 | 0.74 | — | — | |
| Fluoride SCHEMBL21816906 | 0.74 | CA1 (0.57) | — | |
| SCHEMBL6560890 | 0.74 | — | — | |
| SCHEMBL18720 | 0.69 | — | — | |
| SCHEMBL2481570 | 0.69 | — | — |
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-20130115168-A1 | Catalytic Radiofluorination | THE GENERAL HOSPITAL CORPORATION (US) | 2013-05-09 | — | — | US | disclosed |