⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13835753 | 0.73 | — | — | |
| SCHEMBL115628 | 0.67 | — | — | |
| SCHEMBL3129332 | 0.67 | — | — | |
| SCHEMBL8609239 | 0.67 | — | — | |
| SCHEMBL363006 | 0.65 | — | — | |
| SCHEMBL845310 | 0.62 | — | — | |
| SCHEMBL13530904 | 0.62 | — | — | |
| SCHEMBL2331578 | 0.60 | — | — | |
| Ethylene Glycol SCHEMBL3135916 | 0.60 | TSHR (0.31) | — | |
| SCHEMBL399717 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002028869-A1 | GAMMA-GLUTAMYL TRANSPEPTIDASE INHIBITORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE NATIONAL INSTITUTES OF HEALTH (US) | 2002-04-11 | — | — | WO | disclosed |