⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3619346 | 0.69 | SSTR4 (0.30) | — | |
| SCHEMBL4490226 | 0.68 | — | — | |
| SCHEMBL2069121 | 0.68 | CPN1 (0.34) | — | |
| SCHEMBL3779931 | 0.66 | — | — | |
| SCHEMBL7492677 | 0.65 | KDM1A (0.37) | — | |
| SCHEMBL6105150 | 0.65 | KDM1A (0.37) | — | |
| SCHEMBL7496120 | 0.65 | KDM1A (0.37) | — | |
| SCHEMBL7496135 | 0.65 | KDM1A (0.37) | — | |
| SCHEMBL6529800 | 0.63 | SLC6A3 (0.31) | — | |
| SCHEMBL6484490 | 0.63 | SLC6A3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2417128-B1 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-03-02 | — | — | EP | disclosed |
| US-8288385-B2 | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | disclosed |
| US-20120028989-A1 | 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES | VIATRIS ASIA PACIFIC PTE. LTD. (SG) | 2012-02-02 | — | — | US | disclosed |