⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23983254 | 0.79 | NCF1 (0.36) | — | |
| SCHEMBL5667084 | 0.78 | NCF1 (0.37) | — | |
| SCHEMBL4715319 | 0.74 | — | — | |
| SCHEMBL85410 | 0.74 | — | — | |
| SCHEMBL8226817 | 0.74 | — | — | |
| SCHEMBL13002448 | 0.74 | — | — | |
| SCHEMBL5781537 | 0.74 | — | — | |
| SCHEMBL14890554 | 0.74 | NCF1 (0.56) | — | |
| SCHEMBL12959313 | 0.74 | — | — | |
| SCHEMBL55360 | 0.74 | — | — |
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-7572913-B2 | Inhibitors of Rho kinase; N-Benzyloxycarbonyl-4-[N''-(tert-butyloxycarbonyl)hydrazino]piperidine; 4-{[N''-(tert-butyloxycarbonyl)-N'-(1'-propyl)]hydrazino}piperidine | BIOAXONE THERAPEUTIQUE INC. (CA) | 2009-08-11 | — | — | US | disclosed |
| US-20050272751-A1 | 4-Substituted piperidine derivatives | BIOAXONE THERAPEUTIQUE INC. (CA) | 2005-12-08 | — | — | US | disclosed |