⚠ 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 | |
|---|---|---|---|---|
| Furan SCHEMBL2053866 | 0.94 | MAPK1 (1.00) | — | |
| Furan SCHEMBL419906 | 0.94 | — | — | |
| Furan SCHEMBL315 | 0.94 | — | — | |
| Benzene SCHEMBL4340876 | 0.89 | MAPK1 (0.89) | — | |
| Furan SCHEMBL11515278 | 0.89 | — | — | |
| Furan SCHEMBL9462413 | 0.89 | — | — | |
| Furan SCHEMBL3309085 | 0.89 | — | — | |
| Furan SCHEMBL9937176 | 0.89 | — | — | |
| Furan SCHEMBL2455246 | 0.89 | — | — | |
| Furan SCHEMBL8861365 | 0.89 | — | — |
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-112194644-A | Alkali metal salt of furan, furoyl chloride and preparation method thereof | 河南立诺制药有限公司 | 2021-01-08 | — | — | CN | disclosed |