⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9706944 | 0.81 | — | — | |
| SCHEMBL3249657 | 0.74 | — | — | |
| SCHEMBL10834496 | 0.62 | — | — | |
| SCHEMBL15490831 | 0.62 | — | — | |
| Paraquat SCHEMBL12003504 | 0.61 | SLC6A4 (0.48) | — | |
| SCHEMBL11399036 | 0.60 | — | — | |
| SCHEMBL9419419 | 0.60 | — | — | |
| SCHEMBL12360538 | 0.58 | — | — | |
| SCHEMBL17348555 | 0.56 | LMNA (0.33) | — | |
| SCHEMBL12588987 | 0.55 | — | — |
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-0574418-B1 | ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS | HOECHST SCHERING AGREVO GMBH (DE) | 1998-11-11 | — | — | EP | disclosed |
| US-5688745-A | Arylsulfonylureas and their use as herbicides and growth regulators | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-18 | — | — | US | disclosed |
| WO-1992013845-A1 | ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-20 | — | — | WO | disclosed |
| WO-1992009578-A1 | SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-06-11 | — | — | WO | disclosed |