⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL780441 | 0.78 | — | — | |
| SCHEMBL9311836 | 0.76 | — | — | |
| SCHEMBL1044411 | 0.73 | — | — | |
| SCHEMBL690723 | 0.73 | — | — | |
| SCHEMBL2672289 | 0.72 | — | — | |
| SCHEMBL30250687 | 0.72 | — | — | |
| SCHEMBL112 | 0.72 | — | — | |
| SCHEMBL17225094 | 0.72 | — | — | |
| SCHEMBL27575648 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL6976630 | 0.70 | — | — |
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-6737193-B2 | ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI | IM&T RESEARCH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030148188-A1 | Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali | IM&T RESEARCH, INC. | 2003-08-07 | — | — | US | disclosed |
| US-3983172-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-28 | — | — | US | disclosed |