⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2735671 | 0.98 | — | — | |
| SCHEMBL2735672 | 0.75 | — | — | |
| SCHEMBL20045076 | 0.73 | — | — | |
| SCHEMBL3533443 | 0.73 | — | — | |
| SCHEMBL8185681 | 0.71 | — | — | |
| SCHEMBL901473 | 0.70 | — | — | |
| SCHEMBL3533871 | 0.70 | — | — | |
| SCHEMBL8985061 | 0.70 | ACHE (0.32) | — | |
| SCHEMBL10175116 | 0.70 | — | — | |
| SCHEMBL6339176 | 0.68 | — | — |
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-107629046-B | Pyrazolone compound or salt thereof, herbicide composition and application | 青岛清原化合物有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-107629046-A | Pyrazolone compound or its salt, herbicidal composition and purposes | 青岛清原化合物有限公司 | 2018-01-26 | — | — | CN | disclosed |