⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30803740 | 0.74 | — | — | |
| SCHEMBL30730984 | 0.74 | — | — | |
| SCHEMBL31393398 | 0.72 | — | — | |
| Ethylene SCHEMBL28463899 | 0.70 | — | — | |
| SCHEMBL28614660 | 0.67 | — | — | |
| Propene SCHEMBL28455669 | 0.66 | — | — | |
| SCHEMBL4262269 | 0.65 | — | — | |
| SCHEMBL28535018 | 0.62 | — | — | |
| SCHEMBL28626912 | 0.62 | — | — | |
| SCHEMBL28628849 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019426-B1 | NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS | UNIV FLORIDA (US) | 2003-03-12 | — | — | EP | disclosed |
| US-5998387-A | N6-(EPOXYCYCLOALKYL) ADENOSINE COMPOUND AND PREPARATION | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5736528-A | CARDIOTONIC AGENTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 1998-04-07 | — | — | US | disclosed |