⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10404614 | 0.80 | — | — | |
| SCHEMBL5903463 | 0.75 | TYMP (0.30) | — | |
| SCHEMBL14980556 | 0.75 | CYP2C19 (0.43) | — | |
| SCHEMBL5806703 | 0.74 | — | — | |
| SCHEMBL11741569 | 0.74 | — | — | |
| SCHEMBL4581202 | 0.74 | — | — | |
| SCHEMBL6266880 | 0.73 | — | — | |
| SCHEMBL5517614 | 0.71 | CDC25A (0.47) | — | |
| SCHEMBL11323551 | 0.70 | AR (0.30) | — | |
| SCHEMBL7260351 | 0.70 | IDO1 (0.46) | — |
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-109503421-B | Method for improving safety of azide amine fuel synthesis process | 黎明化工研究设计院有限责任公司 | 2022-10-14 | — | — | CN | claimed |
| CN-109503421-B | Method for improving safety of azide amine fuel synthesis process | 黎明化工研究设计院有限责任公司 | 2022-10-14 | — | — | CN | disclosed |