⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28453263 | 0.75 | PTGER4 (0.30) | — | |
| SCHEMBL28655468 | 0.72 | — | — | |
| SCHEMBL28929471 | 0.71 | — | — | |
| SCHEMBL12806826 | 0.63 | MPO (0.30) | — | |
| SCHEMBL28567284 | 0.63 | PTGER4 (0.32) | — | |
| SCHEMBL28570589 | 0.63 | PTGER4 (0.30) | — | |
| SCHEMBL30518943 | 0.63 | AXL (0.34) | — | |
| SCHEMBL5378880 | 0.62 | ALOX5AP (0.39) | — | |
| SCHEMBL5388686 | 0.61 | CYP1A2 (0.32) | — | |
| SCHEMBL537622 | 0.61 | SMN1; SMN2 (0.35) | — |
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-113620941-B | Cyclopropyl-pyrazole derivatives and their use in agriculture | 宁夏苏融达化工有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-113620941-A | Cyclopropyl-pyrazole derivatives and their use in agriculture | 宁夏苏融达化工有限公司 | 2021-11-09 | — | — | CN | disclosed |