⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL224947 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL4123832 | 0.73 | MAOA (0.64) | — | |
| SCHEMBL3411276 | 0.73 | MAOA (0.64) | — | |
| Ethylene SCHEMBL28289342 | 0.71 | CYP2A6 (0.80) | — | |
| Water SCHEMBL28293836 | 0.71 | CYP2A6 (0.53) | — | |
| SCHEMBL18508 | 0.71 | — | — | |
| SCHEMBL1739838 | 0.69 | MAOA (0.48) | — | |
| SCHEMBL10595686 | 0.69 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL5849990 | 0.69 | CYP2A6 (0.42) | — | |
| SCHEMBL810505 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4650799-A | Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-03-17 | — | — | US | claimed |
| EP-0140327-B1 | BIS-DIOXOPIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, ANTITUMOR AGENTS COMPRISING THEM AND COMPOSITIONS CONTAINING THEM | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1990-05-23 | — | — | EP | disclosed |
| US-4650799-A | Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-03-17 | — | — | US | disclosed |
| EP-0140327-A2 | Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-05-08 | — | — | EP | disclosed |