⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10955108 | 0.69 | — | — | |
| SCHEMBL22183075 | 0.67 | — | — | |
| SCHEMBL10638394 | 0.67 | — | — | |
| SCHEMBL12228048 | 0.61 | CRBN (0.35) | — | |
| SCHEMBL2115739 | 0.58 | — | — | |
| SCHEMBL10959048 | 0.58 | — | — | |
| SCHEMBL5075402 | 0.57 | — | — | |
| SCHEMBL5081324 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL31006320 | 0.57 | — | — | |
| SCHEMBL16605690 | 0.56 | LMNA (0.33) | — |
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-5424402-A | Non-destructive method for radiolabelling biomolecules by halogenation | BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) | 1995-06-13 | — | — | US | disclosed |