⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5975691 | 0.78 | — | — | |
| SCHEMBL19510356 | 0.75 | — | — | |
| Formic Acid SCHEMBL31538578 | 0.72 | — | — | |
| SCHEMBL905405 | 0.70 | — | — | |
| Tert-Butylamine SCHEMBL8647449 | 0.70 | — | — | |
| SCHEMBL2532689 | 0.67 | — | — | |
| SCHEMBL1099338 | 0.67 | — | — | |
| SCHEMBL272050 | 0.67 | — | — | |
| SCHEMBL24820 | 0.64 | — | — | |
| SCHEMBL893167 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1263757-C | Specific for adenosine A1,A2AAnd A3Receptor compounds and uses thereof | OSI PHARMACENTICALS INC (US) | 2006-07-12 | — | — | CN | disclosed |
| CN-1489590-A | Specific for adenosine A1,A2AAnd A3Receptor compounds and uses thereof | OSI��ҩ��˾ | 2004-04-14 | — | — | CN | disclosed |
| EP-0722268-A1 | HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS | ZENECA LIMITED (GB) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995010188-A2 | HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS | ZENECA LIMITED (GB) | 1995-04-20 | — | — | WO | disclosed |