⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL9479219 | 0.95 | — | — | |
| SCHEMBL18470 | 0.94 | — | — | |
| SCHEMBL8431278 | 0.94 | LMNA (0.33) | — | |
| SCHEMBL27629935 | 0.94 | LMNA (0.33) | — | |
| SCHEMBL7884727 | 0.94 | LMNA (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL137030 | 0.89 | — | — | |
| SCHEMBL1408309 | 0.89 | — | — | |
| Water SCHEMBL6226530 | 0.89 | LMNA (0.30) | — | |
| SCHEMBL1408311 | 0.89 | — | — | |
| Water SCHEMBL10439033 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2004104122-A2 | POLISHING COMPOSITION FOR MAGNETIC DISKS COMPRISING A SURFACE CLEANING AGENT AND POLISHING METHOD | SHOWA DENKO K.K. (JP) | 2004-12-02 | — | — | WO | disclosed |