⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7866038 | 0.83 | — | — | |
| SCHEMBL3278905 | 0.76 | TRIM24 (0.35) | — | |
| SCHEMBL3207460 | 0.73 | — | — | |
| SCHEMBL28676383 | 0.71 | OR51E2 (0.39) | — | |
| SCHEMBL31337845 | 0.71 | — | — | |
| SCHEMBL2404181 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL13720094 | 0.67 | — | — | |
| SCHEMBL8165939 | 0.67 | — | — | |
| SCHEMBL28520803 | 0.62 | — | — | |
| SCHEMBL3639125 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108008600-B | Radiation-sensitive composition | 三菱瓦斯化学株式会社 | 2021-02-09 | — | — | CN | disclosed |
| WO-1991013548-A1 | HERBICIDAL COMPOSITIONS OF AROYLATED 1,3-DICARBONYL OR 1,3,5-TRICARBONYL CYCLOHEXANE HERBICIDES AND AN ANTIDOTE SYSTEM THEREFOR | AHLE JAMES L (US) | 1991-09-19 | — | — | WO | disclosed |
| WO-1991013547-A1 | HERBICIDAL COMPOSITIONS OF AROYLATED 1,3-DICARBONYL OR 1,3,5-TRICARBONYL CYCLOHEXANE HERBICIDES AND TWO-PART ANTIDOTE SYSTEM THEREFOR | AHLE JAMES L (US) | 1991-09-19 | — | — | WO | disclosed |