⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28818565 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL7929530 | 0.73 | DNTT (0.37) | — | |
| SCHEMBL27443733 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL28234221 | 0.72 | DNTT (0.33) | — | |
| SCHEMBL4554819 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL8814334 | 0.69 | — | — | |
| SCHEMBL4138702 | 0.68 | — | — | |
| SCHEMBL30275454 | 0.64 | NFKB1 (0.34) | — | |
| SCHEMBL818870 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL30569223 | 0.62 | GABRR1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0822931-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | Takeda Chemical Industries, Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996033982-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |