⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24672693 | 0.75 | HTT (0.41) | — | |
| SCHEMBL29942565 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL24673213 | 0.60 | PGK1 (0.45) | — | |
| SCHEMBL3970694 | 0.58 | DRD2 (0.47) | — | |
| SCHEMBL13833151 | 0.58 | DRD2 (0.47) | — | |
| SCHEMBL5860445 | 0.58 | — | — | |
| SCHEMBL636364 | 0.58 | DRD2 (0.47) | — | |
| SCHEMBL8860654 | 0.58 | DRD2 (0.47) | — | |
| SCHEMBL17996818 | 0.58 | DRD2 (0.47) | — | |
| SCHEMBL24672959 | 0.57 | HDAC6 (0.43) | — |
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-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |