⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14409148 | 1.00 | — | — | |
| SCHEMBL16162296 | 0.96 | — | — | |
| SCHEMBL13306748 | 0.96 | — | — | |
| SCHEMBL675739 | 0.96 | — | — | |
| Acetic Acid SCHEMBL31243581 | 0.78 | FFAR3 (0.39) | — | |
| SCHEMBL4907910 | 0.78 | ALDH1A1 (0.61) | — | |
| SCHEMBL13083556 | 0.78 | — | — | |
| SCHEMBL733279 | 0.78 | ALDH1A1 (0.61) | — | |
| SCHEMBL6201794 | 0.78 | ALDH1A1 (0.61) | — | |
| SCHEMBL6201791 | 0.78 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747870-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-1481077-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-11-04 | — | — | EP | disclosed |