⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3402458 | 0.83 | TDP1 (0.35) | — | |
| SCHEMBL7695983 | 0.81 | — | — | |
| Ethylene Glycol SCHEMBL5922937 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL32679905 | 0.79 | — | — | |
| SCHEMBL1151807 | 0.79 | — | — | |
| Oxirane SCHEMBL6300592 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL1151808 | 0.77 | GRIK1 (0.30) | — | |
| SCHEMBL4954464 | 0.77 | — | — | |
| Propylene Oxide SCHEMBL1905554 | 0.76 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL7713247 | 0.76 | ALDH1A1 (0.38) | — |
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-20050182190-A1 | Mixtures of alkylated and non-alkylated cellulose ethers and use thereof | SE TYLOSE GMBH & CO. KG (DE) | 2005-08-18 | — | — | US | disclosed |