⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8296721 | 0.91 | — | — | |
| SCHEMBL7162190 | 0.85 | EGLN2 (0.33) | — | |
| SCHEMBL8299245 | 0.84 | AR (0.30) | — | |
| SCHEMBL8298154 | 0.84 | KHK (0.34) | — | |
| SCHEMBL8296745 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL8429490 | 0.82 | AR (0.31) | — | |
| SCHEMBL8299914 | 0.81 | PGR (0.39) | — | |
| SCHEMBL8296926 | 0.81 | — | — | |
| SCHEMBL8443484 | 0.80 | — | — | |
| SCHEMBL8303323 | 0.80 | VCAM1 (0.35) | — |
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-0906285-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906285-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997046535-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | disclosed |
| WO-1997046535-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | disclosed |