⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9236740 | 0.81 | — | — | |
| SCHEMBL2633817 | 0.79 | — | — | |
| SCHEMBL6042745 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL424014 | 0.78 | HTT (0.33) | — | |
| Hydrochloric Acid SCHEMBL2693228 | 0.78 | HTT (0.33) | — | |
| Hydrochloric Acid SCHEMBL6989690 | 0.78 | — | — | |
| SCHEMBL4434828 | 0.75 | — | — | |
| SCHEMBL6602444 | 0.74 | — | — | |
| SCHEMBL16493150 | 0.73 | — | — | |
| SCHEMBL6447288 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2014291-B1 | Piperazinone compounds as anti-tumor and anti-cancer agents | UNIV YALE (US) | 2011-10-26 | — | — | EP | disclosed |
| US-7763620-B2 | Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment | YALE UNIVERSITY (US) | 2010-07-27 | — | — | US | disclosed |
| EP-1427418-B1 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS | UNIV YALE (US) | 2009-11-11 | — | — | EP | disclosed |
| EP-2014291-A2 | Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment | YALE UNIVERSITY (US) | 2009-01-14 | — | — | EP | disclosed |
| US-20080221123-A1 | Piperazinone Compounds as Anti-Tumor and Anti-Cancer Agents and Methods of Treatment | YALE UNIVERSITY | 2008-09-11 | — | — | US | disclosed |
| EP-1427418-A4 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | UNIV YALE (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-1427418-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003017939-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2003-03-06 | — | — | WO | disclosed |