⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3603721 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL3258761 | 0.77 | MAOB (0.34) | — | |
| SCHEMBL3256369 | 0.77 | PDE2A (0.31) | — | |
| SCHEMBL3254877 | 0.77 | PDE2A (0.31) | — | |
| SCHEMBL3257387 | 0.77 | PDE2A (0.31) | — | |
| SCHEMBL3248974 | 0.75 | — | — | |
| SCHEMBL22164259 | 0.69 | NR3C2 (0.33) | — | |
| SCHEMBL3255688 | 0.68 | RECQL (0.32) | — | |
| SCHEMBL3256391 | 0.66 | EPAS1 (0.36) | — | |
| SCHEMBL6989900 | 0.65 | NOTUM (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100075960-A1 | BENZIMIDAZOLE THIOPHENE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2010-03-25 | — | — | US | disclosed |
| US-7615643-B2 | 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer | SMITHKLINE BEECHAM CORPORATION (US) | 2009-11-10 | — | — | US | disclosed |
| US-20090124615-A9 | Benzimidazole Thiophene Compounds | KUNTZ KEVIN | 2009-05-14 | — | — | US | disclosed |
| US-20080300247-A1 | Benzimidazole Thiophene Compounds | KUNTZ KEVIN | 2008-12-04 | — | — | US | disclosed |