⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459433 | 1.00 | — | — | |
| SCHEMBL3460122 | 1.00 | — | — | |
| SCHEMBL24088995 | 0.84 | — | — | |
| SCHEMBL3458936 | 0.79 | — | — | |
| SCHEMBL3459648 | 0.79 | — | — | |
| SCHEMBL3459015 | 0.76 | — | — | |
| SCHEMBL3459549 | 0.74 | — | — | |
| SCHEMBL2396940 | 0.71 | — | — | |
| SCHEMBL14973298 | 0.71 | — | — | |
| SCHEMBL342505 | 0.71 | — | — |
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-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 |