⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2922526 | 0.81 | ESR1 (0.41) | — | |
| SCHEMBL2916307 | 0.80 | — | — | |
| SCHEMBL2922805 | 0.77 | MPO (0.44) | — | |
| SCHEMBL2921731 | 0.76 | — | — | |
| SCHEMBL1009935 | 0.76 | — | — | |
| SCHEMBL8941572 | 0.74 | PPARG (0.38) | — | |
| SCHEMBL18726439 | 0.72 | — | — | |
| SCHEMBL2918154 | 0.72 | ESR1 (0.44) | — | |
| SCHEMBL2920586 | 0.71 | NPC1 (0.52) | — | |
| SCHEMBL1009619 | 0.70 | ALDH1A1 (0.54) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268641-B1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT LTD (IN) | 2014-09-03 | — | — | EP | disclosed |
| EP-2268641-B1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT LTD (IN) | 2014-09-03 | — | — | EP | disclosed |
| US-8252797-B2 | Heterocyclic compounds as adenosine receptor antagonist | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2012-08-28 | — | — | US | disclosed |
| US-8252797-B2 | Heterocyclic compounds as adenosine receptor antagonist | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2012-08-28 | — | — | US | disclosed |
| US-8252797-B2 | Heterocyclic compounds as adenosine receptor antagonist | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2012-08-28 | — | — | US | disclosed |
| EP-2268641-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | Advinus Therapeutics Pvt. Ltd. (IN) | 2011-01-05 | — | — | EP | disclosed |
| US-20090298744-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2009-12-03 | — | — | US | disclosed |
| US-20090298744-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2009-12-03 | — | — | US | disclosed |
| US-20090298744-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD. (IN) | 2009-12-03 | — | — | US | disclosed |
| WO-2009118759-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD., (IN) | 2009-10-01 | — | — | WO | disclosed |
| WO-2009118759-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD., (IN) | 2009-10-01 | — | — | WO | disclosed |