⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11125698 | 0.81 | FDPS (0.33) | — | |
| SCHEMBL20137246 | 0.79 | FDPS (0.43) | — | |
| SCHEMBL20137187 | 0.79 | FDPS (0.43) | — | |
| SCHEMBL10536983 | 0.79 | TDP1 (0.44) | — | |
| SCHEMBL11429780 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL94101 | 0.78 | FDPS (0.42) | — | |
| Bromide SCHEMBL28426210 | 0.78 | FDPS (0.42) | — | |
| Hydrochloric Acid SCHEMBL28643343 | 0.78 | FDPS (0.42) | — | |
| Water SCHEMBL11076441 | 0.78 | FDPS (0.42) | — | |
| SCHEMBL28836841 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116253834-A | Polymer, preparation method thereof, antibacterial and antiviral product and application thereof | 深圳大学 | 2023-06-13 | — | — | CN | disclosed |
| EP-0405967-A2 | Built liquid detergent compositions | Amway Corporation (US) | 1991-01-02 | — | — | EP | disclosed |