⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27689827 | 0.94 | — | — | |
| SCHEMBL27709429 | 0.94 | — | — | |
| SCHEMBL2997771 | 0.92 | METAP1 (0.36) | — | |
| SCHEMBL4657449 | 0.92 | METAP1 (0.36) | — | |
| SCHEMBL2997770 | 0.92 | METAP1 (0.36) | — | |
| SCHEMBL4675938 | 0.88 | — | — | |
| SCHEMBL27689711 | 0.77 | — | — | |
| SCHEMBL20609443 | 0.77 | — | — | |
| SCHEMBL27689732 | 0.74 | IDO1 (0.31) | — | |
| SCHEMBL525786 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1849121-A | Piperazine derivatives as bradyknin antagonist | AMGEN INC (US) | 2006-10-18 | — | — | CN | claimed |
| CN-1849121-A | Piperazine derivatives as bradyknin antagonist | AMGEN INC (US) | 2006-10-18 | — | — | CN | disclosed |