⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL1971596 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL3129093 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL29162147 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL8756041 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL16765391 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28891238 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL8511719 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL8511724 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL6701993 | 0.91 | — | — | |
| Methane SCHEMBL22122451 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483794-B | Metal organic framework material and preparation method and application thereof | 南昌大学 | 2020-06-19 | — | — | CN | claimed |
| CN-111893506-B | Preparation method of menadione | 万华化学集团股份有限公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-113620883-A | Preparation method of semi-proton type compound, product and application thereof | 西南大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-111893506-A | Preparation method of menadione | 万华化学集团股份有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-110483794-B | Metal organic framework material and preparation method and application thereof | 南昌大学 | 2020-06-19 | — | — | CN | disclosed |