⚠ 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 SCHEMBL20360553 | 0.96 | HIF1A (0.46) | — | |
| Piperazine SCHEMBL28257898 | 0.96 | HIF1A (0.46) | — | |
| Piperazine SCHEMBL27538032 | 0.93 | HIF1A (0.43) | — | |
| Piperazine SCHEMBL28237390 | 0.93 | HIF1A (0.43) | — | |
| Piperazine SCHEMBL28087044 | 0.93 | HIF1A (0.43) | — | |
| Piperazine SCHEMBL27867168 | 0.93 | HIF1A (0.43) | — | |
| Piperazine SCHEMBL27889328 | 0.93 | HIF1A (0.43) | — | |
| Piperazine SCHEMBL28162288 | 0.93 | HIF1A (0.43) | — | |
| Pyrrolidine SCHEMBL4604231 | 0.89 | ALDH1A1 (0.50) | — | |
| Piperazine SCHEMBL27482728 | 0.89 | HIF1A (0.40) | — |
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-107652222-B | Oxime ester photoinitiators | 巴斯夫欧洲公司 | 2021-09-10 | — | — | CN | disclosed |