⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL489357 | 0.85 | — | — | |
| SCHEMBL5809530 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL14848967 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL1006611 | 0.76 | ALDH1A1 (0.43) | — | |
| Methyl Alcohol SCHEMBL28261152 | 0.75 | — | — | |
| SCHEMBL23303 | 0.74 | — | — | |
| SCHEMBL2096964 | 0.74 | — | — | |
| SCHEMBL3807791 | 0.72 | — | — | |
| SCHEMBL21749858 | 0.72 | — | — | |
| SCHEMBL1006921 | 0.72 | HSD17B10 (0.56) | — |
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-6395859-B1 | ISOCYANATE BLOCKS AND BRIDGING UNITS FOR POLYMERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2002-05-28 | — | — | US | disclosed |