⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28127985 | 0.78 | — | — | |
| SCHEMBL232066 | 0.75 | — | — | |
| SCHEMBL11224369 | 0.74 | SLC6A3 (0.33) | — | |
| SCHEMBL28825348 | 0.74 | EPHX1 (0.33) | — | |
| SCHEMBL28159753 | 0.72 | — | — | |
| SCHEMBL7519692 | 0.72 | — | — | |
| SCHEMBL7524298 | 0.72 | — | — | |
| SCHEMBL7525259 | 0.72 | — | — | |
| SCHEMBL1132449 | 0.72 | — | — | |
| SCHEMBL7522293 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1698635-A1 | BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-4414413-A | 1,2-Di[N,N-Bis(2-fluoro-2,2-dinitroethyl)carbamyl]hydrozine | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1983-11-08 | — | — | US | disclosed |
| US-4317928-A | N,N,N',N'-Tetrakis(2-fluoro-2,2-dinitroethyl) oxamide and a method of preparation thereof | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1982-03-02 | — | — | US | disclosed |