⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL845600 | 0.74 | — | — | |
| SCHEMBL29549012 | 0.74 | — | — | |
| SCHEMBL9762967 | 0.74 | — | — | |
| SCHEMBL845602 | 0.74 | — | — | |
| SCHEMBL3380799 | 0.73 | — | — | |
| SCHEMBL1966761 | 0.73 | — | — | |
| SCHEMBL3380800 | 0.73 | — | — | |
| SCHEMBL6256974 | 0.73 | FFAR3 (0.33) | — | |
| SCHEMBL4895937 | 0.73 | FFAR3 (0.33) | — | |
| SCHEMBL3380706 | 0.73 | — | — |
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-3991107-A | Haloamine transfer | NATIONAL PATENT DEVELOPMENT CORPORATION (US) | 1976-11-09 | — | — | US | claimed |
| CN-116710046-A | Phosphonic acid and N-halamine compositions for tartar removal | O.Y.M.创新有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |