⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7345899 | 0.77 | — | — | |
| SCHEMBL8891434 | 0.76 | — | — | |
| SCHEMBL10346113 | 0.70 | — | — | |
| SCHEMBL10346112 | 0.70 | — | — | |
| SCHEMBL8594693 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5528524 | 0.66 | — | — | |
| SCHEMBL8707053 | 0.66 | DNM1 (0.32) | — | |
| SCHEMBL19436686 | 0.65 | ADRB2 (0.37) | — | |
| SCHEMBL17865466 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL5026039 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1768991-A1 | PROCESS FOR THE PREPARATION OF A1-ADENOSINE RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006017052-A1 | PROCESS FOR THE PREPARATION OF A1 ADENOSINE RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2006-02-16 | — | — | WO | disclosed |