⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95057 | 0.80 | — | — | |
| SCHEMBL2244526 | 0.78 | — | — | |
| SCHEMBL13458766 | 0.76 | — | — | |
| SCHEMBL8931338 | 0.75 | CYP1A2 (0.44) | — | |
| SCHEMBL1843654 | 0.75 | COMT (0.39) | — | |
| SCHEMBL13444799 | 0.73 | KMT2A (0.47) | — | |
| SCHEMBL7231306 | 0.73 | MAPK1 (0.32) | — | |
| SCHEMBL15211249 | 0.72 | PPARD (0.39) | — | |
| SCHEMBL8931394 | 0.72 | — | — | |
| SCHEMBL7613775 | 0.72 | CYP1A2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |