⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11159798 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL16869991 | 0.67 | AURKA (0.33) | — | |
| SCHEMBL14491570 | 0.66 | CA1 (0.31) | — | |
| SCHEMBL22219737 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL15396848 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL18949896 | 0.61 | — | — | |
| SCHEMBL14231124 | 0.61 | AURKA (0.31) | — | |
| SCHEMBL22846858 | 0.60 | — | — | |
| SCHEMBL13183286 | 0.57 | BRD4 (0.42) | — | |
| SCHEMBL16631557 | 0.56 | ADORA2A (0.37) | — |
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-9429561-B2 | Detection of nucleic acid lesions and adducts using nanopores | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2016-08-30 | — | — | US | disclosed |