⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27246 | 0.70 | — | — | |
| SCHEMBL4232342 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL18422910 | 0.67 | CETP (0.39) | — | |
| SCHEMBL18422707 | 0.67 | CETP (0.39) | — | |
| SCHEMBL2262667 | 0.67 | CETP (0.39) | — | |
| SCHEMBL199 | 0.67 | CETP (0.39) | — | |
| SCHEMBL774533 | 0.67 | — | — | |
| SCHEMBL602840 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL2852867 | 0.67 | CETP (0.39) | — | |
| SCHEMBL30610980 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112969692-A | Bumetanide derivatives for the treatment of hyperhidrosis | 兹伦汀公司 | 2021-06-15 | — | — | CN | disclosed |
| US-7189867-B1 | Trifluoromethylcarbinol terminated thiols | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2007-03-13 | — | — | US | disclosed |