⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24820 | 0.94 | — | — | |
| SCHEMBL28992856 | 0.89 | — | — | |
| SCHEMBL27809365 | 0.89 | — | — | |
| SCHEMBL28037267 | 0.89 | — | — | |
| Water SCHEMBL4751856 | 0.89 | — | — | |
| Bromide SCHEMBL8073627 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1554682 | 0.89 | — | — | |
| Fluoride SCHEMBL6864971 | 0.89 | — | — | |
| SCHEMBL5554696 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28030714 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105621924-A | Method for producing cement grinding aid by replacement and sulfonation of tri-isopropanolamine | YANG JIANHUA | 2016-06-01 | — | — | CN | claimed |