⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27859696 | 0.97 | — | — | |
| SCHEMBL121600 | 0.97 | — | — | |
| SCHEMBL28355493 | 0.94 | — | — | |
| SCHEMBL27612234 | 0.94 | — | — | |
| Bromide SCHEMBL28183802 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6193526 | 0.94 | — | — | |
| SCHEMBL27776701 | 0.94 | — | — | |
| Iodide SCHEMBL7404079 | 0.94 | — | — | |
| SCHEMBL31432565 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6201618 | 0.94 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101735223-B | Piperazine ketone-nitrogen heterocyclic compound and synthesis method | UNIV ZHENGZHOU | 2012-07-18 | — | — | CN | claimed |
| CN-101735223-A | Piperazine ketone-nitrogen heterocyclic compound and synthesis method | UNIV ZHENGZHOU | 2010-06-16 | — | — | CN | claimed |
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | claimed |
| CN-117660224-A | Marine vibrio M0101 and application thereof | 广西科学院 | 2024-03-08 | — | — | CN | disclosed |
| CN-101735223-B | Piperazine ketone-nitrogen heterocyclic compound and synthesis method | UNIV ZHENGZHOU | 2012-07-18 | — | — | CN | disclosed |
| CN-101735223-A | Piperazine ketone-nitrogen heterocyclic compound and synthesis method | UNIV ZHENGZHOU | 2010-06-16 | — | — | CN | disclosed |