⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2123606 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL25923498 | 0.79 | — | — | |
| SCHEMBL13972994 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL2607547 | 0.75 | — | — | |
| SCHEMBL9120359 | 0.74 | — | — | |
| SCHEMBL9120362 | 0.74 | — | — | |
| SCHEMBL13463895 | 0.73 | — | — | |
| SCHEMBL9117674 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL17437334 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL17437333 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021139482-A1 | CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2021-07-15 | — | — | WO | disclosed |