⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7002340 | 0.77 | — | — | |
| SCHEMBL9842092 | 0.77 | — | — | |
| SCHEMBL7002336 | 0.77 | — | — | |
| SCHEMBL8744920 | 0.75 | — | — | |
| SCHEMBL22137871 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL15189297 | 0.70 | — | — | |
| SCHEMBL7004897 | 0.70 | — | — | |
| SCHEMBL11477955 | 0.70 | — | — | |
| SCHEMBL2968058 | 0.70 | — | — | |
| SCHEMBL7004894 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230138225-A1 | PYRAZOLE CARBOXYLATE ESTER COMPOUND AND USE THEREOF | JIANGSU YANGNONG CHEMICAL CO., LTD. (CN) | 2023-05-04 | — | — | US | disclosed |