⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7294768 | 0.73 | — | — | |
| SCHEMBL8133480 | 0.70 | — | — | |
| SCHEMBL27977434 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL20586 | 0.67 | — | — | |
| SCHEMBL264071 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL2883129 | 0.63 | — | — | |
| SCHEMBL43239 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL15233791 | 0.63 | — | — | |
| Water SCHEMBL8449693 | 0.63 | — | — | |
| Iodide SCHEMBL30960110 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928219-A | Nitrogenous fused heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| EP-0657441-B1 | Cyclic acetals, processes for their production and conversion into herbicides | BASF AG (DE) | 2000-03-01 | — | — | EP | disclosed |
| US-5777118-A | PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5569640-A | HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-29 | — | — | US | disclosed |
| EP-0657441-A2 | Cyclic acetals, processes for their production and conversion into herbicides | BASF Aktiengesellschaft (DE) | 1995-06-14 | — | — | EP | disclosed |