⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1136923 | 1.00 | — | — | |
| SCHEMBL1136925 | 1.00 | — | — | |
| SCHEMBL11874403 | 0.78 | — | — | |
| SCHEMBL3705235 | 0.78 | — | — | |
| SCHEMBL15462250 | 0.78 | — | — | |
| SCHEMBL11608607 | 0.78 | — | — | |
| SCHEMBL11364619 | 0.78 | — | — | |
| Iodide SCHEMBL11062993 | 0.78 | — | — | |
| Iodide SCHEMBL9836761 | 0.76 | — | — | |
| SCHEMBL10567071 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005911-B1 | ANALGESIC 6-ACYLAMINOTETRAHYDRO-1,3,5-TRIAZINE-2,4-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-02-17 | — | — | EP | disclosed |
| US-4254122-A | ANALGESICS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS OF PROSTAGLANDIN SYNTHETASE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-03-03 | — | — | US | disclosed |
| US-4014924-A | SELECTIVE HERBICIDES AND SOIL STERILANTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-03-29 | — | — | US | disclosed |
| US-3959331-A | HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-25 | — | — | US | disclosed |
| US-3933469-A | ALLOPHANIMIDATE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-01-20 | — | — | US | disclosed |