⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20389326 | 0.75 | — | — | |
| SCHEMBL21982821 | 0.75 | — | — | |
| SCHEMBL20381223 | 0.72 | — | — | |
| SCHEMBL20197458 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL12463779 | 0.67 | — | — | |
| SCHEMBL19964579 | 0.63 | — | — | |
| SCHEMBL13616028 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL19404985 | 0.61 | — | — | |
| SCHEMBL596396 | 0.59 | — | — | |
| SCHEMBL24245376 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373265-B1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2009-05-06 | — | — | EP | disclosed |