⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8366832 | 0.70 | — | — | |
| SCHEMBL3190140 | 0.70 | — | — | |
| SCHEMBL8800237 | 0.67 | — | — | |
| SCHEMBL6958163 | 0.67 | — | — | |
| SCHEMBL27529029 | 0.67 | — | — | |
| SCHEMBL7873444 | 0.67 | — | — | |
| SCHEMBL12646706 | 0.67 | — | — | |
| SCHEMBL9660575 | 0.67 | — | — | |
| SCHEMBL2044988 | 0.67 | — | — | |
| SCHEMBL285538 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090299067-A1 | New synthesis of 2,6-diamino-3,5-dinitropyrazine-1-oxide from 2,6-diaminopyrazine-1-oxide | ENERGY, U.S. DEPARTMENT OF | 2009-12-03 | — | — | US | disclosed |
| EP-0237513-B1 | PROCESS FOR THE PREPARATION OF IMINODIACETONITRILE | Monsanto Company (US) | 1991-08-21 | — | — | EP | disclosed |
| EP-0237513-A1 | Process for the preparation of iminodiacetonitrile | Monsanto Company (US) | 1987-09-16 | — | — | EP | disclosed |