⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4013536 | 0.86 | BRD4 (0.36) | — | |
| SCHEMBL4013685 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL4015929 | 0.74 | PAX8 (0.39) | — | |
| SCHEMBL4022651 | 0.73 | MTNR1A (0.38) | — | |
| SCHEMBL4016564 | 0.70 | PTPN11 (0.35) | — | |
| SCHEMBL23407763 | 0.62 | NR1I2 (0.36) | — | |
| SCHEMBL4499058 | 0.62 | NOTUM (0.33) | — | |
| SCHEMBL16943047 | 0.61 | HDAC1 (0.41) | — | |
| SCHEMBL849303 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL16943188 | 0.58 | SSTR4 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7632851-B2 | Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers | NOVARTIS AG (CH) | 2009-12-15 | — | — | US | disclosed |
| EP-1613610-B1 | BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS | NOVARTIS AG (CH) | 2009-07-01 | — | — | EP | disclosed |
| US-20060093551-A1 | Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers | NOVARTIS AG (CH) | 2006-05-04 | — | — | US | disclosed |
| EP-1613610-A1 | BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS | Novartis AG (CH) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004087684-A1 | BENZO[1,2,5]OXADIAZOLES AND BENZO [1,2,5]THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS | NOVARTIS AG (CH) | 2004-10-14 | — | — | WO | disclosed |