⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9975335 | 1.00 | — | — | |
| SCHEMBL1584880 | 1.00 | — | — | |
| SCHEMBL8230398 | 0.83 | — | — | |
| SCHEMBL16143068 | 0.83 | — | — | |
| SCHEMBL5321773 | 0.83 | — | — | |
| SCHEMBL26791035 | 0.83 | DPP4 (0.38) | — | |
| SCHEMBL14493190 | 0.83 | DPP4 (0.38) | — | |
| SCHEMBL26781427 | 0.82 | — | — | |
| SCHEMBL26781429 | 0.82 | — | — | |
| SCHEMBL16508763 | 0.78 | AGL (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7608723-B2 | N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-10-27 | — | — | US | disclosed |