⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2709332 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL297916 | 0.78 | TSHR (0.59) | — | |
| SCHEMBL15253 | 0.78 | — | — | |
| SCHEMBL21772350 | 0.78 | TSHR (0.52) | — | |
| SCHEMBL1003135 | 0.78 | — | — | |
| SCHEMBL5146416 | 0.76 | — | — | |
| SCHEMBL15641386 | 0.76 | — | — | |
| SCHEMBL6151271 | 0.76 | — | — | |
| SCHEMBL1335139 | 0.76 | — | — | |
| SCHEMBL3838892 | 0.76 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0379099-B1 | Tetrahydroindazoles with a phenyl ether structure | BASF AG (DE) | 1994-09-14 | — | — | EP | disclosed |
| US-5167690-A | Pre- and postemergence | RUEB LOTHAR (DE) | 1992-12-01 | — | — | US | disclosed |
| US-5112383-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1992-05-12 | — | — | US | disclosed |
| US-4997472-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-05 | — | — | US | disclosed |
| EP-0379099-A1 | Tetrahydroindazoles with a phenyl ether structure | BASF Aktiengesellschaft (DE) | 1990-07-25 | — | — | EP | disclosed |