⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8397539 | 0.88 | — | — | |
| SCHEMBL5432 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL8444575 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL2989183 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7031098 | 0.82 | — | — | |
| SCHEMBL2024892 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL2985898 | 0.82 | — | — | |
| Fluoride SCHEMBL28317530 | 0.82 | — | — | |
| Hydrazine SCHEMBL23413289 | 0.78 | — | — | |
| SCHEMBL1144463 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105441401-B | A kind of monoamine oxidase and its application in synthesis of chiral Azabicyclic compounds | 上海弈柯莱生物医药科技有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-105624128-A | Immobilized monoamine oxidase and application thereof in synthesis of chiral azabicyclic compound | NANJING ABIOCHEM BIOMEDICAL TECH CO LTD | 2016-06-01 | — | — | CN | disclosed |
| CN-105441401-A | Monoamine oxidase and application thereof in synthesis of chiral azabicyclic compounds | NANJING ABIOCHEM BIOMEDICAL TECH CO LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-86100254-A | The method for preparing tertiary amine compounds | — | 1986-10-08 | — | — | CN | disclosed |