⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1919728 | 0.83 | MCHR1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL2202675 | 0.74 | S1PR4 (0.30) | — | |
| SCHEMBL14804671 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL21318822 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL10121645 | 0.56 | ADORA2A (0.31) | — | |
| SCHEMBL32687993 | 0.55 | CYP1A2 (0.41) | — | |
| SCHEMBL12757466 | 0.54 | LMNA (0.47) | — | |
| SCHEMBL21543540 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL33145 | 0.53 | ALDH1A1 (0.43) | — | |
| SCHEMBL18287434 | 0.53 | ALDH1A1 (0.32) | — |
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-3246030-A1 | NOVEL ADENINE DERIVATIVES | GlaxoSmithKline LLC (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2320905-B1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2017-06-28 | — | — | EP | disclosed |
| US-8802684-B2 | Adenine derivatives | GLAXOSMITHKLINE LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140024664-A1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2014-01-23 | — | — | US | disclosed |
| US-8563717-B2 | Adenine derivatives | GLAXOSMITHKLINE LLC (US) | 2013-10-22 | — | — | US | disclosed |
| US-20110144136-A1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2011-06-16 | — | — | US | disclosed |
| EP-2320905-A1 | NOVEL ADENINE DERIVATIVES | Smithkline Beecham Corporation (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010018134-A1 | NOVEL ADENINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | disclosed |