⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56456 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1070655 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28296666 | 0.96 | — | — | |
| Bromide SCHEMBL28675956 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL11498771 | 0.96 | TSHR (0.40) | — | |
| Charcoal, Activated SCHEMBL8892440 | 0.96 | — | — | |
| Octane SCHEMBL460019 | 0.93 | TSHR (0.53) | — | |
| Methyl Alcohol SCHEMBL8586502 | 0.93 | FDPS (0.39) | — | |
| SCHEMBL28146841 | 0.90 | FDPS (0.37) | — | |
| SCHEMBL55763 | 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-2003037837-A2 | DI-SUBSTITUTED SURFACTANT PRECURSORS AND DERIVED SURFACTANTS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2003-05-08 | — | — | WO | disclosed |