⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7744298 | 1.00 | — | — | |
| SCHEMBL7638594 | 0.78 | HIF1A (0.37) | — | |
| SCHEMBL8740420 | 0.75 | CTRB1 (0.36) | — | |
| SCHEMBL8818025 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL9089667 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL12500968 | 0.70 | — | — | |
| SCHEMBL5808045 | 0.69 | HIF1A (0.34) | — | |
| SCHEMBL5679847 | 0.69 | — | — | |
| SCHEMBL7743883 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7743886 | 0.69 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708781-B1 | A 3 ADENOSINE RECEPTOR AGONISTS | USA (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5773423-A | XANTHINE RIBOSIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0708781-A1 | A 3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002604-A1 | A3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-01-26 | — | — | WO | disclosed |