⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27576665 | 0.81 | P2RX7 (0.50) | — | |
| SCHEMBL1479803 | 0.79 | — | — | |
| SCHEMBL220487 | 0.77 | — | — | |
| SCHEMBL30189633 | 0.77 | — | — | |
| SCHEMBL29564726 | 0.77 | — | — | |
| SCHEMBL14755756 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL25429260 | 0.76 | P2RX7 (0.60) | — | |
| Hydrochloric Acid SCHEMBL16040200 | 0.76 | P2RX7 (0.50) | — | |
| Hydrochloric Acid SCHEMBL30986896 | 0.76 | P2RX7 (0.60) | — | |
| SCHEMBL29495233 | 0.76 | P2RX7 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024162284-A1 | PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME | クミアイ化学工業株式会社 | 2024-08-08 | — | — | WO | disclosed |
| CN-1993129-A | Thienopyrimidines and thiazolopyrimidines for use in medicine | ASTRAZENECA AB (SE) | 2007-07-04 | — | — | CN | disclosed |