⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459237 | 0.94 | MEN1 (0.31) | — | |
| SCHEMBL3460345 | 0.89 | — | — | |
| SCHEMBL3459385 | 0.89 | — | — | |
| SCHEMBL3458839 | 0.89 | — | — | |
| SCHEMBL3458492 | 0.89 | — | — | |
| SCHEMBL1280064 | 0.89 | MEN1 (0.39) | — | |
| SCHEMBL3459462 | 0.88 | — | — | |
| SCHEMBL3459610 | 0.85 | MEN1 (0.36) | — | |
| SCHEMBL3459549 | 0.82 | — | — | |
| SCHEMBL3471564 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11332482-B2 | Au(III) complexes for [18F] Trifluoromethylation and methods for producing the same | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-05-17 | — | — | US | disclosed |
| US-20200172557-A1 | AU(III) COMPLEXES FOR [18F] TRIFLUOROMETHULATION AND METHODS FOR PRODUCING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-06-04 | — | — | US | disclosed |
| US-7704746-B1 | Method of detecting leakage from geologic formations used to sequester CO2 | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 2010-04-27 | — | — | US | disclosed |