⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL28151868 | 0.74 | — | — | |
| Ethylenediamine SCHEMBL8128755 | 0.74 | NFKB1 (0.33) | — | |
| SCHEMBL16583669 | 0.70 | — | — | |
| SCHEMBL28854563 | 0.70 | — | — | |
| SCHEMBL28881486 | 0.70 | — | — | |
| Ethylamine SCHEMBL48047 | 0.70 | — | — | |
| Ethylamine SCHEMBL28049996 | 0.67 | — | — | |
| Ethylamine SCHEMBL28225278 | 0.67 | — | — | |
| Hydrazine SCHEMBL28271972 | 0.65 | — | — | |
| Propylamine SCHEMBL6305385 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350092-A1 | METHYLENE AMINES OF THIENO Ý2,3-D¨PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045006-A1 | METHYLENE AMINES OF THIENO [2,3-D] PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |
| US-20100093702-A1 | METHYLENE AMINES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-04-15 | — | — | US | disclosed |