⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4187605 | 0.77 | — | — | |
| SCHEMBL11791784 | 0.70 | — | — | |
| SCHEMBL4546466 | 0.70 | — | — | |
| SCHEMBL11790642 | 0.70 | — | — | |
| SCHEMBL10594476 | 0.69 | — | — | |
| SCHEMBL3573061 | 0.69 | — | — | |
| SCHEMBL9843384 | 0.67 | — | — | |
| SCHEMBL6384877 | 0.67 | — | — | |
| SCHEMBL11793079 | 0.67 | — | — | |
| SCHEMBL20598464 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985239-A | AGENTS FOR WATER DISINFECTION AND AS MILD OXIDIZING AGENTS FOR THE RADIOLABELING OF OXIDATION-SENSITIVE BIOMOLECULES WHICH MINIMIZE THE FORMATION OF THE CARCINOGENIC CHLORINATED HYDROCARBONS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 1999-11-16 | — | — | US | disclosed |