⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2977955 | 0.69 | — | — | |
| SCHEMBL27801237 | 0.69 | — | — | |
| SCHEMBL3953572 | 0.65 | — | — | |
| SCHEMBL365160 | 0.65 | — | — | |
| Ethane SCHEMBL27535133 | 0.65 | — | — | |
| SCHEMBL9650655 | 0.65 | — | — | |
| SCHEMBL3212979 | 0.65 | — | — | |
| SCHEMBL4254172 | 0.65 | — | — | |
| SCHEMBL5532080 | 0.64 | — | — | |
| SCHEMBL28189606 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105753738-B | A kind of method of nitrobenzoyl catalytic hydrogenation of nitriles synthesizing amino benzonitrile | 长春工业大学 | 2018-10-12 | — | — | CN | disclosed |
| CN-107417568-A | The method that nitroaromatic catalytic hydrogenation prepares amino aromatic compound | 长春工业大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105753738-A | Method for synthesizing cyanoaniline through nitrobenzonitrile catalytic hydrogenation | 长春工业大学 | 2016-07-13 | — | — | CN | disclosed |