⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2197710 | 1.00 | — | — | |
| SCHEMBL4030697 | 0.79 | MGAM (0.33) | — | |
| SCHEMBL4030693 | 0.79 | MGAM (0.33) | — | |
| SCHEMBL3226475 | 0.72 | — | — | |
| SCHEMBL422869 | 0.68 | — | — | |
| SCHEMBL8932212 | 0.68 | — | — | |
| SCHEMBL1633933 | 0.68 | — | — | |
| SCHEMBL14065966 | 0.68 | — | — | |
| SCHEMBL21461623 | 0.68 | — | — | |
| SCHEMBL7782377 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103951590-A | Preparation method of N,O-dimethyl-N'-nitroisourea | HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL INDUSTRY CO LTD | 2014-07-30 | — | — | CN | disclosed |
| CN-103951590-A | Preparation method of N,O-dimethyl-N'-nitroisourea | HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL INDUSTRY CO LTD | 2014-07-30 | — | — | CN | disclosed |
| EP-1985614-B1 | IMPROVED METHOD FOR PRODUCING NITROGUANIDINE DERIVATIVE | MITSUI CHEMICALS AGRO INC (JP) | 2013-09-25 | — | — | EP | disclosed |
| US-7977496-B2 | Process for producing nitroguanidine derivatives | MITSUI CHEMICALS, INC. (JP) | 2011-07-12 | — | — | US | disclosed |
| US-7560593-B2 | Process for producing nitroisourea derivatives | MITSUI CHEMICALS, INC. (JP) | 2009-07-14 | — | — | US | disclosed |
| US-20090176990-A1 | PROCESS FOR PRODUCING NITROGUANIDINE DERIVATIVES | MITSUI CHEMICALS, INC. (JP) | 2009-07-09 | — | — | US | disclosed |
| US-20090018363-A1 | PROCESS FOR PRODUCING NITROISOUREA DERIVATIVES | MITSUI CHEMICALS, INC (JP) | 2009-01-15 | — | — | US | disclosed |
| EP-1985614-A1 | IMPROVED METHOD FOR PRODUCING NITROGUANIDINE DERIVATIVE | Mitsui Chemicals, Inc. (JP) | 2008-10-29 | — | — | EP | disclosed |
| EP-1985610-A1 | IMPROVED METHOD FOR PRODUCING NITROISOUREA DERIVATIVE | Mitsui Chemicals, Inc. (JP) | 2008-10-29 | — | — | EP | disclosed |