⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775383 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL775384 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL9517366 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL8540596 | 0.75 | MAPT (0.50) | — | |
| SCHEMBL9517373 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL9517370 | 0.75 | ALDH1A1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL15955356 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL10910336 | 0.71 | ACHE (0.46) | — | |
| SCHEMBL95991 | 0.71 | — | — | |
| SCHEMBL6240262 | 0.71 | — | — |
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-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 | claimed |
| 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 | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |