⚠ 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 SCHEMBL28362595 | 0.73 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL9120710 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL75613 | 0.70 | — | — | |
| SCHEMBL374360 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL3293884 | 0.70 | — | — | |
| SCHEMBL7128268 | 0.70 | — | — | |
| Tert-Butanol SCHEMBL11785690 | 0.70 | THRB (0.39) | — | |
| SCHEMBL28801474 | 0.70 | — | — | |
| SCHEMBL11244700 | 0.70 | — | — | |
| Hydroxyamine SCHEMBL10688051 | 0.70 | — | — |
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-6927312-B2 | Method of removing water from hydrofluorocarbon manufacturing processes | HONEYWELL INTERNATIONAL INC. (US) | 2005-08-09 | — | — | US | claimed |