⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7076077 | 1.00 | — | — | |
| SCHEMBL17219829 | 0.78 | — | — | |
| SCHEMBL6119691 | 0.78 | — | — | |
| SCHEMBL6119693 | 0.78 | — | — | |
| SCHEMBL5430854 | 0.73 | — | — | |
| SCHEMBL10399846 | 0.71 | — | — | |
| SCHEMBL5704286 | 0.71 | — | — | |
| SCHEMBL10394978 | 0.71 | — | — | |
| SCHEMBL789474 | 0.69 | — | — | |
| SCHEMBL9021340 | 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 |
|---|---|---|---|---|---|---|---|
| US-8932839-B2 | Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein | BASF SE (DE) | 2015-01-13 | — | — | US | disclosed |
| US-20120237991-A1 | Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein | BASF SE (DE) | 2012-09-20 | — | — | US | disclosed |
| EP-0846113-B1 | 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2003-01-29 | — | — | EP | disclosed |
| WO-1997007114-A1 | 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-27 | — | — | WO | disclosed |