⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3922214 | 0.83 | — | — | |
| SCHEMBL27924636 | 0.78 | — | — | |
| SCHEMBL9371676 | 0.74 | — | — | |
| SCHEMBL2544765 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL194715 | 0.73 | — | — | |
| SCHEMBL1682739 | 0.72 | — | — | |
| SCHEMBL158090 | 0.72 | — | — | |
| SCHEMBL30522334 | 0.70 | — | — | |
| SCHEMBL16588896 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL1093794 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510320-A | EXCELLENT CONTROL OF BLACKGRASS AND WILD OATS AND OTHER WEEDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0610314-A1 | HERBICIDAL TRIAZOLECARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1993009100-A1 | HERBICIDAL TRIAZOLECARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-05-13 | — | — | WO | disclosed |