⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL136755 | 0.75 | — | — | |
| SCHEMBL137626 | 0.75 | — | — | |
| SCHEMBL1962768 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL19397 | 0.72 | — | — | |
| SCHEMBL1145086 | 0.72 | — | — | |
| SCHEMBL245872 | 0.72 | — | — | |
| SCHEMBL132463 | 0.72 | — | — | |
| SCHEMBL11516260 | 0.70 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2831514 | 0.69 | — | — | |
| Water SCHEMBL411670 | 0.69 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110612295-A | Pyrazole-3-carboxylic acid amide derivative and pest control agent | 组合化学工业株式会社 | 2019-12-24 | — | — | CN | disclosed |