⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7203785 | 0.80 | — | — | |
| SCHEMBL3459542 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL29011315 | 0.74 | — | — | |
| SCHEMBL7063635 | 0.73 | — | — | |
| SCHEMBL949694 | 0.73 | CYP2C19 (0.31) | — | |
| SCHEMBL4628092 | 0.71 | — | — | |
| SCHEMBL10714085 | 0.70 | — | — | |
| SCHEMBL667803 | 0.70 | — | — | |
| SCHEMBL1079279 | 0.69 | — | — | |
| SCHEMBL29046350 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108143634-B | Dental root surface protection material composition | 北京安泰生物医用材料有限公司 | 2021-02-19 | — | — | CN | disclosed |