⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459830 | 1.00 | — | — | |
| SCHEMBL3458789 | 1.00 | — | — | |
| SCHEMBL3459388 | 0.82 | — | — | |
| SCHEMBL3458494 | 0.82 | — | — | |
| SCHEMBL3458745 | 0.82 | — | — | |
| SCHEMBL3460349 | 0.82 | — | — | |
| SCHEMBL3458841 | 0.82 | — | — | |
| SCHEMBL3459613 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL3458595 | 0.78 | — | — | |
| SCHEMBL3459435 | 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 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 |