⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL115873 | 0.82 | — | — | |
| SCHEMBL11123105 | 0.82 | — | — | |
| SCHEMBL27284244 | 0.82 | — | — | |
| SCHEMBL28407204 | 0.82 | — | — | |
| SCHEMBL7952513 | 0.82 | — | — | |
| SCHEMBL2532699 | 0.82 | — | — | |
| SCHEMBL28491281 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL10580221 | 0.67 | — | — | |
| SCHEMBL447572 | 0.67 | — | — | |
| SCHEMBL17187204 | 0.67 | — | — |
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-7419680-B2 | Calcium phosphate-based materials containing zinc, magnesium, fluoride and carbonate | NEW YORK UNIVERSITY (US) | 2008-09-02 | — | — | US | disclosed |
| US-20070082062-A1 | Calcium phosphate-based materials containing zinc, magnesium, fluoride and carbonate | NEW YORK UNIVERSITY | 2007-04-12 | — | — | US | disclosed |
| WO-2005032466-A2 | CALCIUM PHOSPHATE-BASED MATERIALS CONTAINIG ZINC, MAGNESIUM, FLUORIDE AND CARBONATE | NEW YORK UNIVERSITY (US) | 2005-04-14 | — | — | WO | disclosed |