⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL715867 | 0.96 | GSK3B (1.00) | — | |
| SCHEMBL10990 | 0.96 | — | — | |
| SCHEMBL33524954 | 0.96 | — | — | |
| SCHEMBL1599522 | 0.96 | — | — | |
| SCHEMBL7021498 | 0.96 | — | — | |
| SCHEMBL693917 | 0.96 | GSK3B (1.00) | — | |
| SCHEMBL1768562 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL4263587 | 0.92 | — | — | |
| SCHEMBL9862604 | 0.92 | GSK3A (0.92) | — | |
| Charcoal, Activated SCHEMBL8357494 | 0.92 | — | — |
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-4812577-A | RADIOPHARMACEUTICAL KITS FOR LABELING ANTIBODIES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1989-03-14 | — | — | US | disclosed |