⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9845034 | 0.81 | CETP (0.31) | — | |
| SCHEMBL28508223 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL10889113 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL11786898 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL23660838 | 0.78 | — | — | |
| SCHEMBL11118086 | 0.77 | CETP (0.33) | — | |
| SCHEMBL28074451 | 0.77 | — | — | |
| SCHEMBL10589103 | 0.77 | CETP (0.31) | — | |
| SCHEMBL21805758 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL25393764 | 0.77 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010043633-A1 | 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES | PALAU PHARMA, S. A. (ES) | 2010-04-22 | — | — | WO | disclosed |