⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2735823 | 1.00 | — | — | |
| SCHEMBL30417409 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL20712673 | 0.80 | — | — | |
| SCHEMBL526443 | 0.79 | — | — | |
| SCHEMBL19852266 | 0.77 | — | — | |
| SCHEMBL10759769 | 0.77 | — | — | |
| SCHEMBL17866344 | 0.77 | — | — | |
| SCHEMBL11597082 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27878398 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL10906274 | 0.73 | TDP1 (0.33) | — |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |