⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5960570 | 0.81 | GABRA1 (0.33) | — | |
| SCHEMBL9596236 | 0.74 | — | — | |
| SCHEMBL22252054 | 0.72 | — | — | |
| SCHEMBL7054967 | 0.70 | GSK3A (0.30) | — | |
| SCHEMBL27300360 | 0.70 | — | — | |
| SCHEMBL13766469 | 0.67 | — | — | |
| SCHEMBL12806719 | 0.65 | AR (0.33) | — | |
| SCHEMBL14773502 | 0.65 | KCNH2 (0.33) | — | |
| SCHEMBL19720811 | 0.65 | HMGCR (0.32) | — | |
| SCHEMBL16578892 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788378-A | N-methyl-3-ethyl-4-hlorine pyrrole derivative compound | HUNAN HAILI CHEMICAL INDUSTRY CO LTD | 2015-07-22 | — | — | CN | claimed |
| CN-104788378-B | The chlorine pyrazole derivative compounds of 3 ethyl of N methyl 4 | 湖南海利化工股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105503728-B | Pyrazole compounds or salts thereof and preparation method thereof, and weedicide composition and application thereof | 青岛清原化合物有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104788378-A | N-methyl-3-ethyl-4-hlorine pyrrole derivative compound | HUNAN HAILI CHEMICAL INDUSTRY CO LTD | 2015-07-22 | — | — | CN | disclosed |