⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10834592 | 0.55 | — | — | |
| Iodol SCHEMBL1649169 | 0.51 | — | — | |
| SCHEMBL17361178 | 0.42 | — | — | |
| SCHEMBL31494248 | 0.27 | — | — | |
| SCHEMBL5008966 | 0.27 | — | — | |
| SCHEMBL23358113 | 0.27 | — | — | |
| Charcoal, Activated SCHEMBL8562816 | 0.27 | — | — | |
| SCHEMBL29497772 | 0.27 | — | — | |
| SCHEMBL19365 | 0.27 | — | — | |
| Methane SCHEMBL23044967 | 0.27 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115322174-B | Iodine-enriched energetic compound and preparation method and application thereof | 北京理工大学 | 2024-01-26 | — | — | CN | claimed |
| CN-115322174-A | Iodine-enriched energetic compound and preparation method and application thereof | 北京理工大学 | 2022-11-11 | — | — | CN | claimed |
| CN-118619882-A | Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole MTNP | 中北大学 | 2024-09-10 | — | — | CN | disclosed |
| CN-115322174-B | Iodine-enriched energetic compound and preparation method and application thereof | 北京理工大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-116606253-A | Iodinated energetic compound based on pyrazole ring, and preparation method and application thereof | 北京理工大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-115322174-A | Iodine-enriched energetic compound and preparation method and application thereof | 北京理工大学 | 2022-11-11 | — | — | CN | disclosed |
| US-4945167-A | HYDROXYLATION ON THE NITROGEN ATOM | BASF AKTIENGESELLSCHAFT (DE) | 1990-07-31 | — | — | US | disclosed |
| US-4089672-A | HERBICIDES | THE UPJOHN COMPANY (US) | 1978-05-16 | — | — | US | disclosed |
| US-4084955-A | 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES | THE UPJOHN COMPANY (US) | 1978-04-18 | — | — | US | disclosed |