⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6576430 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL158105 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL843522 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL968305 | 0.81 | — | — | |
| SCHEMBL15843351 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL15843513 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL15843352 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL15843512 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL970929 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL8057564 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5462956-A | Potency; not blocked by opioid-antagonist naloxone | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0629200-A1 | EPIBATIDINE AND DERIVATIVES, COMPOSITIONS AND METHODS OF TREATING PAIN | THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-12-21 | — | — | EP | disclosed |
| US-5314899-A | Epibatidine and derivatives, compositions and methods of treating pain | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-05-24 | — | — | US | disclosed |
| WO-1993018037-A1 | EPIBATIDINE AND DERIVATIVES, COMPOSITIONS AND METHODS OF TREATING PAIN | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1993-09-16 | — | — | WO | disclosed |