⚠ 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 | |
|---|---|---|---|---|
| Aziridine SCHEMBL7968853 | 1.00 | — | — | |
| Piperazine SCHEMBL28864397 | 0.93 | HIF1A (0.86) | — | |
| Methane SCHEMBL1702310 | 0.93 | HIF1A (0.86) | — | |
| Piperazine SCHEMBL11442745 | 0.93 | — | — | |
| Aziridine SCHEMBL3089497 | 0.91 | — | — | |
| Aziridine SCHEMBL16878816 | 0.91 | — | — | |
| Aziridine SCHEMBL2267 | 0.91 | — | — | |
| Piperazine SCHEMBL27901557 | 0.87 | — | — | |
| Piperazine SCHEMBL734764 | 0.83 | HIF1A (1.00) | — | |
| Aziridine SCHEMBL5484117 | 0.83 | — | — |
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-105949144-B | The method of aromatic nitroso compound and nitrogen heterocycle propane compound cyclization | 太原理工大学 | 2018-02-02 | — | — | CN | disclosed |