⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9000199 | 1.00 | — | — | |
| SCHEMBL2405345 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL15447218 | 0.76 | — | — | |
| SCHEMBL1017623 | 0.76 | — | — | |
| SCHEMBL11401424 | 0.74 | — | — | |
| SCHEMBL8003080 | 0.74 | — | — | |
| SCHEMBL11401434 | 0.74 | — | — | |
| SCHEMBL10449030 | 0.74 | — | — | |
| SCHEMBL6722206 | 0.73 | — | — | |
| SCHEMBL6722205 | 0.73 | — | — |
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-0552493-B1 | Thiochromenone derivatives as antidotes and herbicidal agents containing them | BASF AG (DE) | 1996-09-11 | — | — | EP | disclosed |
| EP-0552493-A1 | Thiochromenone derivatives as antidotes and herbicidal agents containing them | BASF Aktiengesellschaft (DE) | 1993-07-28 | — | — | EP | disclosed |