⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29032024 | 0.75 | CYP2C19 (0.32) | — | |
| SCHEMBL1727809 | 0.72 | — | — | |
| SCHEMBL11587851 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL177824 | 0.68 | — | — | |
| SCHEMBL28937741 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL3371130 | 0.67 | CA1 (0.32) | — | |
| Fluoride SCHEMBL11226527 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL11222074 | 0.66 | — | — | |
| SCHEMBL28867559 | 0.66 | — | — | |
| Sulfuric Acid SCHEMBL5424299 | 0.65 | TP53 (0.32) | — |
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-115196904-A | Cement raw material grinding aid and preparation method thereof | 襄阳安格尔建材科技有限公司 | 2022-10-18 | — | — | CN | disclosed |