⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28445970 | 0.84 | — | — | |
| SCHEMBL27999173 | 0.78 | — | — | |
| SCHEMBL8013490 | 0.78 | — | — | |
| SCHEMBL7165761 | 0.77 | — | — | |
| SCHEMBL6390904 | 0.77 | — | — | |
| SCHEMBL28624220 | 0.77 | — | — | |
| SCHEMBL28576333 | 0.77 | — | — | |
| SCHEMBL3294333 | 0.75 | — | — | |
| SCHEMBL28404721 | 0.75 | — | — | |
| SCHEMBL29039928 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112280339-A | Preparation method and application of super-hydrophobic composite material | 陕西科技大学 | 2021-01-29 | — | — | CN | claimed |
| CN-117511394-A | Multifunctional masonry cultural relic nano composite wind-proof reinforcing material and preparation method thereof | 西北工业大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-112280339-A | Preparation method and application of super-hydrophobic composite material | 陕西科技大学 | 2021-01-29 | — | — | CN | disclosed |
| CN-112280339-A | Preparation method and application of super-hydrophobic composite material | 陕西科技大学 | 2021-01-29 | — | — | CN | disclosed |