⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15798403 | 0.83 | — | — | |
| SCHEMBL22444514 | 0.78 | FDPS (0.32) | — | |
| SCHEMBL29119553 | 0.77 | — | — | |
| SCHEMBL5180291 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL5178447 | 0.75 | — | — | |
| SCHEMBL3378242 | 0.75 | — | — | |
| SCHEMBL5178450 | 0.75 | — | — | |
| SCHEMBL5180282 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL1598086 | 0.73 | — | — | |
| SCHEMBL28650905 | 0.72 | TDP1 (0.30) | — |
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-113574041-A | Method for producing bisphenol and method for producing polycarbonate resin | 三菱化学株式会社 | 2021-10-29 | — | — | CN | disclosed |