⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2882932 | 0.69 | — | — | |
| SCHEMBL28345260 | 0.69 | — | — | |
| SCHEMBL28942538 | 0.67 | — | — | |
| SCHEMBL28253201 | 0.63 | — | — | |
| SCHEMBL15969925 | 0.61 | — | — | |
| SCHEMBL30672816 | 0.58 | — | — | |
| SCHEMBL1177955 | 0.52 | — | — | |
| SCHEMBL2888711 | 0.52 | — | — | |
| SCHEMBL28160730 | 0.52 | — | — | |
| Nitric Acid SCHEMBL28207713 | 0.51 | CA5A (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206504-A | Purification method of 3,3 '-diamino-4, 4' -azofurazan oxide | 南京理工大学 | 2024-06-18 | — | — | CN | disclosed |
| CN-107118170-B | Preparation method of azoxytetrazole | 北京理工大学 | 2020-01-07 | — | — | CN | disclosed |