⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7782375 | 0.67 | — | — | |
| SCHEMBL7782377 | 0.67 | — | — | |
| SCHEMBL14387467 | 0.65 | — | — | |
| SCHEMBL31606787 | 0.63 | — | — | |
| SCHEMBL31197131 | 0.63 | CA5A (0.30) | — | |
| SCHEMBL15514654 | 0.63 | — | — | |
| Nitric Acid SCHEMBL5692666 | 0.63 | — | — | |
| SCHEMBL7111510 | 0.62 | — | — | |
| SCHEMBL1601687 | 0.62 | — | — | |
| SCHEMBL422868 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974579-B1 | Nitroisourea derivatives | MITSUI CHEMICALS INC (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-6124466-A | INTERMEDIATE FOR THE PRODUCTION OF A NITROGUANIDINE DERIVATIVE HAVING AN INSECTICIDAL ACTIVITY | MITSUI CHEMICALS, INC. (JP) | 2000-09-26 | — | — | US | disclosed |
| JP-2000103776-A | NEW NITROISOUREA DERIVATIVE | MITSUI CHEMICALS INC | 2000-04-11 | — | — | JP | disclosed |
| EP-0974579-A1 | Novel nitroisourea derivatives | Mitsui Chemicals, Inc. (JP) | 2000-01-26 | — | — | EP | disclosed |