⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29168170 | 0.80 | DYRK1A (0.38) | — | |
| SCHEMBL11484372 | 0.75 | LMNA (0.41) | — | |
| SCHEMBL29168250 | 0.72 | — | — | |
| SCHEMBL348762 | 0.67 | — | — | |
| SCHEMBL20668117 | 0.67 | TLR7 (0.34) | — | |
| Hydrochloric Acid SCHEMBL1577150 | 0.66 | — | — | |
| SCHEMBL1064984 | 0.66 | DYRK1A (0.39) | — | |
| SCHEMBL24618266 | 0.64 | CYP2C9 (0.33) | — | |
| SCHEMBL18158036 | 0.64 | NOS1 (0.33) | — | |
| SCHEMBL4324417 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |