⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28404084 | 0.92 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL17754989 | 0.90 | — | — | |
| SCHEMBL17754974 | 0.90 | — | — | |
| SCHEMBL17754984 | 0.90 | — | — | |
| SCHEMBL17747413 | 0.90 | — | — | |
| SCHEMBL19765267 | 0.90 | — | — | |
| SCHEMBL19176409 | 0.90 | — | — | |
| SCHEMBL27934334 | 0.86 | — | — | |
| SCHEMBL25281488 | 0.85 | — | — | |
| SCHEMBL22400741 | 0.85 | — | — |
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-107840944-B | Random copolymer with difluoro benzothiadiazole and bitetrathiophene as main chains and preparation method and application thereof | 华南理工大学 | 2020-05-22 | — | — | CN | disclosed |