⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1231792 | 1.00 | ATAD2 (0.37) | — | |
| SCHEMBL22008 | 1.00 | — | — | |
| SCHEMBL31403153 | 0.98 | ATAD2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2199283 | 0.98 | ATAD2 (0.35) | — | |
| SCHEMBL30917957 | 0.98 | ATAD2 (0.35) | — | |
| Water SCHEMBL28196064 | 0.98 | ATAD2 (0.35) | — | |
| SCHEMBL15571194 | 0.90 | ATAD2 (0.31) | — | |
| Phosphoric Acid SCHEMBL17185718 | 0.90 | ADORA2A (0.32) | — | |
| Phosphoric Acid SCHEMBL7587250 | 0.90 | ADORA2A (0.32) | — | |
| Sulfuric Acid SCHEMBL28173989 | 0.90 | ATAD2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023201257-A1 | MAGNETIC RESONANCE SPECTROSCOPIC IMAGING OF TISSUE DNA METHYLATION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-10-19 | — | — | WO | disclosed |