⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20758065 | 0.67 | — | — | |
| SCHEMBL7287754 | 0.67 | DRD4 (0.32) | — | |
| SCHEMBL24618550 | 0.64 | — | — | |
| Diethanolamine SCHEMBL8930798 | 0.64 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5843119 | 0.64 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.64 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.64 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.64 | TSHR (0.36) | — | |
| SCHEMBL15088336 | 0.62 | — | — | |
| Diethanolamine SCHEMBL7894736 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230167119-A1 | DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST | Bugworks Research, Inc. | 2023-06-01 | — | — | US | disclosed |