⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6736948 | 0.74 | — | — | |
| SCHEMBL12942246 | 0.69 | — | — | |
| SCHEMBL1544015 | 0.69 | — | — | |
| SCHEMBL6690881 | 0.69 | — | — | |
| SCHEMBL1938703 | 0.69 | — | — | |
| SCHEMBL25934806 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11626706 | 0.67 | — | — | |
| SCHEMBL23988688 | 0.67 | — | — | |
| SCHEMBL13875121 | 0.67 | — | — | |
| SCHEMBL10144659 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2802569-B1 | TETRAZOL-5-YL- UND TRIAZOL-5-YL-ARYL COMPOUNDS AND USE THEREOF AS HERBICIDES | BAYER IP GMBH (DE) | 2016-01-06 | — | — | EP | disclosed |