⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28979490 | 0.82 | — | — | |
| SCHEMBL76621 | 0.82 | — | — | |
| SCHEMBL1885293 | 0.82 | — | — | |
| Fluoride SCHEMBL94093 | 0.82 | — | — | |
| SCHEMBL1191855 | 0.82 | — | — | |
| Fluoride SCHEMBL1052079 | 0.82 | — | — | |
| Fluoride SCHEMBL4243143 | 0.82 | — | — | |
| Fluoride SCHEMBL108669 | 0.82 | — | — | |
| SCHEMBL3806039 | 0.82 | GSK3B (0.50) | — | |
| SCHEMBL11875275 | 0.82 | GSK3B (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3542776-B1 | METAL-CARBON STRUCTURE HYBRID FORMULATION FOR DENTAL USE IN THE TREATMENT OF DENTAL HYPERSENSITIVITY, DEMINERALISATION AND CAVITIES | UNIV CHILE (CL) | 2022-10-19 | — | — | EP | disclosed |
| US-4307076-A | SORBITOL AND POLYVINYL PYRROLIDONE GELLING AGENT | COLGATE-PALMOLIVE COMPANY (US) | 1981-12-22 | — | — | US | disclosed |