⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872342 | 0.95 | MAPT (0.31) | — | |
| SCHEMBL9329350 | 0.77 | OPRM1 (0.34) | — | |
| SCHEMBL5872282 | 0.74 | — | — | |
| SCHEMBL10847373 | 0.73 | — | — | |
| SCHEMBL9578281 | 0.73 | GBA1 (0.38) | — | |
| SCHEMBL9119329 | 0.72 | PLA2G7 (0.31) | — | |
| SCHEMBL9697351 | 0.71 | POLB (0.32) | — | |
| SCHEMBL10369791 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL9782969 | 0.71 | OPRM1 (0.33) | — | |
| SCHEMBL6688284 | 0.69 | POLB (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7109259-B2 | Piperazinone derivatives | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2006-09-19 | — | — | US | disclosed |
| US-20030027902-A1 | Piperazinone derivatives | LAZZARI DARIO (IT) | 2003-02-06 | — | — | US | disclosed |