⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27725621 | 0.88 | — | — | |
| SCHEMBL28238027 | 0.87 | — | — | |
| SCHEMBL956 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL26924074 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3832185 | 0.85 | — | — | |
| Hydrazine SCHEMBL27547923 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL14784880 | 0.85 | — | — | |
| SCHEMBL28240361 | 0.85 | — | — | |
| Water SCHEMBL28259201 | 0.85 | — | — | |
| SCHEMBL27718860 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105037373-B | Method for synthesizing pyrazolo [3,4-d ] pyrimidine compound | 北京理工大学 | 2018-07-31 | — | — | CN | disclosed |
| CN-105037372-B | Method for synthesizing pyrazolo [3,4-d ] pyrimidine-4-ketone compound | 北京理工大学 | 2018-07-31 | — | — | CN | disclosed |