⚠ 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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL27622178 | 0.92 | — | — | |
| Propylamine SCHEMBL3243463 | 0.88 | — | — | |
| Propylamine SCHEMBL28201744 | 0.84 | — | — | |
| Ethylamine SCHEMBL3531343 | 0.84 | — | — | |
| Propylamine SCHEMBL28272849 | 0.80 | — | — | |
| Propylamine SCHEMBL4614010 | 0.79 | — | — | |
| Propylamine SCHEMBL136197 | 0.79 | — | — | |
| Propylamine SCHEMBL22659949 | 0.79 | — | — | |
| Propylamine SCHEMBL136198 | 0.79 | DNM1 (0.44) | — | |
| Propylamine SCHEMBL1330797 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2412716-A1 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7696181-B2 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| US-20090325896-A1 | PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS | IBRAHIM PRABHA | 2009-12-31 | — | — | US | disclosed |
| US-20060287275-A1 | Partial and full agonists of A1 adenosine receptors | IBRAHIM PRABHA | 2006-12-21 | — | — | US | disclosed |
| US-7144871-B2 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. (US) | 2006-12-05 | — | — | US | disclosed |
| EP-1476455-A1 | PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS | CV THERAPEUTICS, INC. (US) | 2004-11-17 | — | — | EP | disclosed |
| US-20030232783-A1 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. | 2003-12-18 | — | — | US | disclosed |
| WO-2003070739-A1 | PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS | CV THERAPEUTICS, INC. (US) | 2003-08-28 | — | — | WO | disclosed |