⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5038656 | 0.84 | EPHX2 (0.45) | — | |
| SCHEMBL3536174 | 0.83 | EPHX2 (0.38) | — | |
| SCHEMBL24783669 | 0.83 | EPHX2 (0.38) | — | |
| SCHEMBL24515224 | 0.80 | — | — | |
| SCHEMBL4321738 | 0.80 | — | — | |
| SCHEMBL199930 | 0.78 | EPHX2 (0.52) | — | |
| SCHEMBL23465669 | 0.78 | — | — | |
| SCHEMBL3537505 | 0.78 | EPHX2 (0.68) | — | |
| SCHEMBL26049406 | 0.77 | EPHX2 (0.39) | — | |
| SCHEMBL20976940 | 0.75 | EPHX2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620437-B1 | 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION | PFIZER LTD (GB) | 2009-06-17 | — | — | EP | claimed |