⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126328 | 0.96 | — | — | |
| Ethane SCHEMBL28046727 | 0.93 | — | — | |
| SCHEMBL1644994 | 0.93 | — | — | |
| Acetic Acid SCHEMBL11276111 | 0.84 | FFAR3 (0.41) | — | |
| SCHEMBL31019742 | 0.78 | NPSR1 (0.34) | — | |
| Sulfuric Acid SCHEMBL30340417 | 0.77 | — | — | |
| SCHEMBL27625113 | 0.77 | — | — | |
| Water SCHEMBL28589464 | 0.74 | CA5A (0.36) | — | |
| Sulfuric Acid SCHEMBL29046204 | 0.74 | — | — | |
| Sulfuric Acid SCHEMBL27558365 | 0.74 | CA5A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109820787-A | A kind of composition of the anti-sensitivity of tooth containing calcium salt | 吕天宽 | 2019-05-31 | — | — | CN | disclosed |
| CN-109820740-A | A kind of composition of the anti-sensitivity of tooth containing calcium salt and its application | 吕天宽 | 2019-05-31 | — | — | CN | disclosed |