⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16497502 | 0.65 | — | — | |
| SCHEMBL19898706 | 0.65 | — | — | |
| SCHEMBL1304475 | 0.65 | — | — | |
| SCHEMBL9587810 | 0.64 | GSK3B (0.37) | — | |
| SCHEMBL36967 | 0.60 | — | — | |
| SCHEMBL1127854 | 0.60 | — | — | |
| SCHEMBL75166 | 0.60 | — | — | |
| SCHEMBL996566 | 0.60 | GSK3A (0.33) | — | |
| SCHEMBL2937688 | 0.60 | — | — | |
| SCHEMBL19900692 | 0.60 | — | — |
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-5189129-A | High temperature polymer from maleimide-acetylene terminated monomers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 1993-02-23 | — | — | US | claimed |