⚠ 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 SCHEMBL135351 | 0.79 | ALDH1A1 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL135349 | 0.79 | ALDH1A1 (0.33) | — | |
| Methyl Alcohol SCHEMBL2866912 | 0.79 | ALDH1A1 (0.33) | — | |
| Perchlorate SCHEMBL5898934 | 0.79 | TDP1 (0.32) | — | |
| SCHEMBL22407 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL3751552 | 0.78 | ALDH1A1 (0.30) | — | |
| Alcohol SCHEMBL2868653 | 0.77 | TSHR (0.46) | — | |
| Ethylene Glycol SCHEMBL3463751 | 0.77 | TSHR (0.39) | — | |
| Hydroxyamine SCHEMBL27709348 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL2940431 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080171819-A1 | Antistatically Finished Polymer Compositions, The Preparation and Use Thereof | BAERLOCHER GMBH (DE) | 2008-07-17 | — | — | US | disclosed |