⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1289798 | 0.80 | — | — | |
| SCHEMBL17145900 | 0.79 | CA1 (0.41) | — | |
| SCHEMBL9273407 | 0.76 | EPHX1 (0.40) | — | |
| SCHEMBL219140 | 0.73 | — | — | |
| SCHEMBL17145901 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL28024910 | 0.73 | — | — | |
| SCHEMBL21195145 | 0.73 | — | — | |
| SCHEMBL6845221 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5110094 | 0.71 | — | — | |
| Bromide SCHEMBL6596764 | 0.71 | — | — |
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-2022149167-A1 | DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST | BUGWORKS RESEARCH INDIA PVT LTD (IN) | 2022-07-14 | — | — | WO | disclosed |