⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114691 | 0.97 | — | — | |
| SCHEMBL28751659 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL7387525 | 0.95 | — | — | |
| SCHEMBL4162531 | 0.90 | — | — | |
| SCHEMBL9492027 | 0.88 | ALDH1A1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL6044189 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL11650070 | 0.88 | ALDH1A1 (0.56) | — | |
| SCHEMBL27796967 | 0.88 | ALDH1A1 (0.56) | — | |
| Putrescine SCHEMBL28774925 | 0.84 | ALDH1A1 (0.52) | — | |
| Acetic Acid Butyl Ester SCHEMBL28846339 | 0.82 | ALDH1A1 (0.75) | — |
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-117105804-A | Production method of betaine type surfactant with high safety | 赞宇科技集团股份有限公司 | 2023-11-24 | — | — | CN | disclosed |