⚠ 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 | |
|---|---|---|---|---|
| E927A SCHEMBL9921280 | 0.95 | — | — | |
| E927A SCHEMBL36851 | 0.95 | — | — | |
| E927A SCHEMBL5599354 | 0.95 | ALDH1A1 (1.00) | — | |
| E927A SCHEMBL11842709 | 0.95 | ALDH1A1 (1.00) | — | |
| E927A SCHEMBL26646 | 0.95 | — | — | |
| E927A SCHEMBL28486798 | 0.91 | — | — | |
| E927A SCHEMBL28178435 | 0.91 | — | — | |
| E927A SCHEMBL28862624 | 0.91 | ALDH1A1 (0.91) | — | |
| E927A SCHEMBL5072650 | 0.91 | ALDH1A1 (0.91) | — | |
| E927A SCHEMBL4576263 | 0.91 | — | — |
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-112574337-A | Production process of calcium polycarbophil | 浙江拓普药业股份有限公司 | 2021-03-30 | — | — | CN | disclosed |