⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23536214 | 0.79 | CNR2 (0.36) | — | |
| SCHEMBL20702409 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL23536294 | 0.73 | CYP2D6 (0.34) | — | |
| SCHEMBL21384924 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL27746269 | 0.70 | CYP46A1 (0.30) | — | |
| SCHEMBL22227858 | 0.69 | — | — | |
| SCHEMBL3869090 | 0.69 | VNN1 (0.38) | — | |
| SCHEMBL19717769 | 0.67 | DGAT1 (0.32) | — | |
| SCHEMBL23120741 | 0.66 | CYP2D6 (0.41) | — | |
| SCHEMBL4430554 | 0.65 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8222228-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2012-07-17 | — | — | US | disclosed |
| US-20110091385-A1 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | PGXHEALTH, LLC (US) | 2011-04-21 | — | — | US | disclosed |
| US-7888329-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | PGXHEALTH, LLC (US) | 2011-02-15 | — | — | US | disclosed |
| US-20090280059-A1 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | PGXHEALTH, LLC (US) | 2009-11-12 | — | — | US | disclosed |
| US-7589076-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | PGX HEALTH, LLC (US) | 2009-09-15 | — | — | US | disclosed |
| EP-2024380-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | Adenosine Therapeutics, LLC (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007136817-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC (US) | 2007-11-29 | — | — | WO | disclosed |
| US-20070270373-A1 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | ADENOSINE THERAPEUTICS, LLC | 2007-11-22 | — | — | US | disclosed |