⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3067688 | 0.76 | — | — | |
| SCHEMBL8712166 | 0.72 | — | — | |
| Ethylenediamine SCHEMBL27784463 | 0.69 | ALDH1A1 (0.45) | — | |
| Ethylenediamine SCHEMBL27213948 | 0.69 | — | — | |
| Ethylenediamine SCHEMBL28135381 | 0.69 | — | — | |
| SCHEMBL10874585 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL2396665 | 0.67 | — | — | |
| SCHEMBL5520895 | 0.67 | — | — | |
| SCHEMBL9501200 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL8377216 | 0.67 | — | — |
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-1202945-A1 | METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001012575-A1 | METHODS FOR PREPARING PERFLUORINATED [18F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2001-02-22 | — | — | WO | disclosed |
| US-5986042-A | Cross-linked polymer | MITSUI CHEMICALS, INC. (JP) | 1999-11-16 | — | — | US | disclosed |
| EP-0856539-A1 | Cross-linked polymer | Mitsui Chemicals, Inc. (JP) | 1998-08-05 | — | — | EP | disclosed |