⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27559053 | 0.87 | — | — | |
| SCHEMBL11483206 | 0.83 | — | — | |
| SCHEMBL28070233 | 0.76 | — | — | |
| Bromide SCHEMBL27891598 | 0.75 | — | — | |
| SCHEMBL10812354 | 0.74 | — | — | |
| SCHEMBL28028500 | 0.73 | — | — | |
| SCHEMBL17221781 | 0.73 | — | — | |
| SCHEMBL6716933 | 0.71 | — | — | |
| SCHEMBL9663462 | 0.68 | — | — | |
| SCHEMBL1936117 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5849743-A | Quinoxalines and drugs prepared therefrom | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| CN-1043125-A | Be used as the aryl urea of the replacement of high-potency sweetener | NUTRASWEET CO (US) | 1990-06-20 | — | — | CN | disclosed |