⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6956996 | 0.94 | NPSR1 (0.34) | — | |
| SCHEMBL27975302 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL14351083 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL14399787 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL16317091 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL6454937 | 0.92 | NPSR1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28813292 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL14399789 | 0.92 | NPSR1 (0.33) | — | |
| SCHEMBL16302726 | 0.88 | — | — | |
| SCHEMBL391107 | 0.88 | — | — |
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-0850222-B1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | SAMJIN PHARM CO LTD (KR) | 2003-05-28 | — | — | EP | disclosed |
| US-6028195-A | AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 2000-02-22 | — | — | US | disclosed |
| EP-0850222-A1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Samjin Pharmaceutical Co., Ltd. (KR) | 1998-07-01 | — | — | EP | disclosed |
| WO-1998000402-A1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 1998-01-08 | — | — | WO | disclosed |