⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL327466 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27442692 | 0.90 | — | — | |
| Ethylene SCHEMBL27979981 | 0.87 | — | — | |
| Piperazine SCHEMBL28097923 | 0.81 | KDM4E (0.31) | — | |
| Formamide SCHEMBL28870910 | 0.79 | — | — | |
| Dimethylamine SCHEMBL11496697 | 0.76 | — | — | |
| Benzene SCHEMBL11850076 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL509793 | 0.75 | — | — | |
| Methylamine SCHEMBL27786636 | 0.70 | — | — | |
| SCHEMBL17923498 | 0.70 | — | — |
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-105622518-B | A kind of preparation method of 1H- imidazoles -4- formic acid | 苏州艾缇克药物化学有限公司 | 2019-05-03 | — | — | CN | disclosed |