⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7634254 | 1.00 | — | — | |
| SCHEMBL1593496 | 0.80 | — | — | |
| SCHEMBL7637407 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL7637412 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL16116754 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL13464578 | 0.70 | CYP1A2 (0.33) | — | |
| SCHEMBL7633078 | 0.67 | — | — | |
| SCHEMBL27969648 | 0.66 | — | — | |
| SCHEMBL15056263 | 0.66 | — | — | |
| SCHEMBL28486741 | 0.66 | GRM2 (0.33) | — |
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-6375943-B1 | ETHYL (1R,2R,5R)-5-IODO-2-METHYLCYCLOHEXANE-1-CARBOXYLATE IN AN ENANTOMERIC EXCESS OF AT LEAST 70%. | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE | 2002-04-23 | — | — | US | disclosed |