⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22164227 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL22164226 | 0.99 | — | — | |
| SCHEMBL22175837 | 0.85 | — | — | |
| SCHEMBL22176064 | 0.78 | PDE10A (0.37) | — | |
| Hydrochloric Acid SCHEMBL22164200 | 0.77 | PDE10A (0.36) | — | |
| Hydrochloric Acid SCHEMBL22164199 | 0.77 | PDE10A (0.36) | — | |
| SCHEMBL1524326 | 0.74 | KDM4E (0.41) | — | |
| SCHEMBL5437664 | 0.72 | NOS3 (0.30) | — | |
| SCHEMBL5060969 | 0.65 | PDE10A (0.42) | — | |
| SCHEMBL15191540 | 0.64 | NPC1 (0.56) | — |
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-2020138015-A1 | PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND | 大正製薬株式会社 | 2020-07-02 | — | — | WO | disclosed |