⚠ 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 | |
|---|---|---|---|---|
| Treosulfan SCHEMBL8466701 | 0.83 | USP2 (0.43) | — | |
| Treosulfan SCHEMBL5399430 | 0.83 | USP2 (0.43) | — | |
| Treosulfan SCHEMBL8142 | 0.83 | USP2 (0.43) | — | |
| SCHEMBL2538118 | 0.83 | USP2 (0.43) | — | |
| SCHEMBL8352021 | 0.81 | — | — | |
| SCHEMBL16790654 | 0.81 | — | — | |
| SCHEMBL4951404 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL1955479 | 0.77 | LMNA (0.39) | — | |
| SCHEMBL7621803 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL21815666 | 0.77 | ALDH1A1 (0.39) | — |
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-113444387-A | Environment-friendly high-temperature efficient concentrated antistatic coating liquid | 韦联生 | 2021-09-28 | — | — | CN | disclosed |