⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL799528 | 1.00 | — | — | |
| SCHEMBL771083 | 1.00 | — | — | |
| SCHEMBL3939409 | 0.88 | ADH1B (0.52) | — | |
| SCHEMBL769923 | 0.86 | ADH1B (0.59) | — | |
| SCHEMBL3756245 | 0.81 | — | — | |
| SCHEMBL14231203 | 0.79 | ADH1B (0.58) | — | |
| Hydrochloric Acid SCHEMBL27460137 | 0.77 | KAT2B (0.33) | — | |
| SCHEMBL23173285 | 0.75 | ADH1B (0.56) | — | |
| SCHEMBL172647 | 0.75 | ADH1B (0.40) | — | |
| SCHEMBL24165493 | 0.75 | KDM1A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8309546-B2 | Morpholinopurine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-11-13 | — | — | US | disclosed |
| EP-1805181-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| US-20120071476-A1 | MORPHOLINOPURINE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-22 | — | — | US | disclosed |
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |