⚠ 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 SCHEMBL10524726 | 1.00 | — | — | |
| SCHEMBL867367 | 0.82 | — | — | |
| Fluoride SCHEMBL5133935 | 0.82 | — | — | |
| Fluoride SCHEMBL6282708 | 0.82 | — | — | |
| Fluoride SCHEMBL11644367 | 0.82 | — | — | |
| Fluoride SCHEMBL29860 | 0.82 | — | — | |
| Fluoride SCHEMBL2185288 | 0.82 | — | — | |
| Fluoride SCHEMBL11879207 | 0.82 | — | — | |
| Fluoride SCHEMBL7569414 | 0.82 | — | — | |
| Fluoride SCHEMBL632631 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105194669-B | Ca for antibacterial suppression cancer2YREF7@TiO2The preparation method of nano composite powder | 梁春永 | 2018-04-13 | — | — | CN | claimed |
| CN-105194669-A | Preparation method of Ca2YREF7@TiO2 nanocomposite powder for inhibiting bacteria and cancer | LIANG CHUNYONG | 2015-12-30 | — | — | CN | claimed |
| CN-105194669-B | Ca for antibacterial suppression cancer2YREF7@TiO2The preparation method of nano composite powder | 梁春永 | 2018-04-13 | — | — | CN | disclosed |
| CN-105194669-B | Ca for antibacterial suppression cancer2YREF7@TiO2The preparation method of nano composite powder | 梁春永 | 2018-04-13 | — | — | CN | disclosed |
| CN-105194669-A | Preparation method of Ca2YREF7@TiO2 nanocomposite powder for inhibiting bacteria and cancer | LIANG CHUNYONG | 2015-12-30 | — | — | CN | disclosed |