⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2892185 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL6562014 | 0.88 | SLC34A1 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28500032 | 0.88 | — | — | |
| SCHEMBL583553 | 0.87 | — | — | |
| Lithium Ion SCHEMBL28390201 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL7594155 | 0.85 | SLC34A1 (0.53) | — | |
| SCHEMBL29167943 | 0.83 | SLC34A1 (0.50) | — | |
| Lithium Ion SCHEMBL29135346 | 0.83 | SLC34A1 (0.50) | — | |
| Fluoride Ion SCHEMBL1708173 | 0.83 | — | — | |
| SCHEMBL28492233 | 0.80 | SLC34A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047781-A1 | MULTI-PURPOSED DENTIFRICE | CHURCH & DWIGHT CO., INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| EP-0831764-A4 | PROCESSES AND COMPOSITIONS FOR REMINERALIZATION AND PREVENTION OF DEMINERALIZATION OF DENTAL ENAMEL | ENAMELON INC (US) | 2000-09-13 | — | — | EP | disclosed |
| EP-0831764-A1 | PROCESSES AND COMPOSITIONS FOR REMINERALIZATION AND PREVENTION OF DEMINERALIZATION OF DENTAL ENAMEL | Enamelon, Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997025967-A1 | PROCESSES AND COMPOSITIONS FOR REMINERALIZATION AND PREVENTION OF DEMINERALIZATION OF DENTAL ENAMEL | ENAMELON, INC. (US) | 1997-07-24 | — | — | WO | disclosed |