Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL4465186 | 0.89 | HIF1A (0.33) | — | |
| Piperazine SCHEMBL28829648 | 0.89 | HIF1A (0.33) | — | |
| SCHEMBL28017159 | 0.89 | — | — | |
| Piperazine SCHEMBL27740510 | 0.86 | HIF1A (0.32) | — | |
| SCHEMBL27985353 | 0.86 | — | — | |
| Piperazine SCHEMBL23932515 | 0.86 | HIF1A (0.32) | — | |
| Aziridine SCHEMBL17610175 | 0.86 | — | — | |
| Piperazine SCHEMBL28222398 | 0.84 | HIF1A (0.30) | — | |
| Piperazine SCHEMBL27410207 | 0.78 | — | — | |
| SCHEMBL419066 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788415-B | A kind of method of asymmetric synthesis 4 nitromethyla, 3 benzyl 3,4 dihydrocoumarin derivant | 淮海工学院 | 2017-03-01 | — | — | CN | claimed |
| CN-104788415-B | A kind of method of asymmetric synthesis 4 nitromethyla, 3 benzyl 3,4 dihydrocoumarin derivant | 淮海工学院 | 2017-03-01 | — | — | CN | disclosed |
| CN-104788415-B | A kind of method of asymmetric synthesis 4 nitromethyla, 3 benzyl 3,4 dihydrocoumarin derivant | 淮海工学院 | 2017-03-01 | — | — | CN | disclosed |