⚠ 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 | |
|---|---|---|---|---|
| Strontium SCHEMBL5886585 | 0.93 | — | — | |
| Strontium SCHEMBL1088202 | 0.91 | — | — | |
| SCHEMBL544815 | 0.91 | — | — | |
| Lithium SCHEMBL4333594 | 0.83 | — | — | |
| SCHEMBL31651505 | 0.83 | — | — | |
| SCHEMBL8061185 | 0.83 | — | — | |
| Calcium SCHEMBL8667267 | 0.83 | — | — | |
| Potassium SCHEMBL30457552 | 0.83 | — | — | |
| SCHEMBL8627358 | 0.83 | — | — | |
| Water SCHEMBL9445822 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1988873-B | Acid-reactive dental fillers, compositions, and methods | 3M INNOVATIVE PROPERTIES CO | 2012-03-21 | — | — | CN | disclosed |
| CN-1988873-A | Acid-reactive dental fillers, compositions, and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2007-06-27 | — | — | CN | disclosed |
| US-7090722-B2 | Acid-reactive dental fillers, compositions, and methods | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050252415-A1 | Acid-reactive dental fillers, compositions, and methods | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2005-11-17 | — | — | US | disclosed |