⚠ 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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL10528078 | 0.86 | — | — | |
| SCHEMBL366182 | 0.86 | — | — | |
| SCHEMBL2121176 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9808559 | 0.86 | — | — | |
| SCHEMBL6651200 | 0.86 | — | — | |
| Water SCHEMBL7315178 | 0.86 | — | — | |
| Water SCHEMBL7290181 | 0.86 | — | — | |
| SCHEMBL38800 | 0.86 | — | — | |
| Bicarbonate SCHEMBL8820662 | 0.82 | — | — | |
| Oxalic Acid SCHEMBL7310715 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109867660-A | Tetrahydroisoquinoline amide compound and its medicinal usage containing quaternary ammonium ion | 四川科伦博泰生物医药股份有限公司 | 2019-06-11 | — | — | CN | disclosed |
| CN-107540659-A | Tetrahydroisoquinolicompounds compounds, its preparation method, medical composition and its use | 四川科伦博泰生物医药股份有限公司 | 2018-01-05 | — | — | CN | disclosed |