⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277037 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL6722398 | 0.73 | TAS1R3 (0.39) | — | |
| SCHEMBL807314 | 0.71 | — | — | |
| SCHEMBL4273636 | 0.71 | — | — | |
| SCHEMBL2606458 | 0.71 | — | — | |
| SCHEMBL2606454 | 0.71 | — | — | |
| SCHEMBL7921713 | 0.71 | — | — | |
| SCHEMBL7965015 | 0.71 | — | — | |
| SCHEMBL271579 | 0.69 | — | — | |
| SCHEMBL271892 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |