⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1092722 | 0.77 | — | — | |
| SCHEMBL8171029 | 0.76 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9793491 | 0.74 | — | — | |
| Deanol SCHEMBL27486030 | 0.72 | MEN1 (0.50) | — | |
| SCHEMBL3641873 | 0.72 | — | — | |
| Deanol SCHEMBL609 | 0.72 | — | — | |
| SCHEMBL13078439 | 0.71 | MEN1 (0.41) | — | |
| Deanol SCHEMBL11861976 | 0.69 | — | — | |
| SCHEMBL23687 | 0.69 | — | — | |
| Deanol SCHEMBL21522041 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7829729-B2 | 1-glycidyl-3,3-dinitroazetidine containing explosive moiety and preparation method thereof | AGENCY FOR DEFENSE DEVELOPMENT (KR) | 2010-11-09 | — | — | US | disclosed |
| US-20090299079-A1 | 1-GLYCIDYL-3,3-DINITROAZETIDINE CONTAINING EXPLOSIVE MOIETY AND PREPARATION METHOD THEREOF | AGENCY FOR DEFENSE DEVELOPMENT (KR) | 2009-12-03 | — | — | US | disclosed |