⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31640577 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL30324715 | 0.79 | SIGMAR1 (0.36) | — | |
| SCHEMBL7917763 | 0.78 | PPM1D (0.33) | — | |
| SCHEMBL29599566 | 0.75 | PPM1D (0.33) | — | |
| SCHEMBL16516673 | 0.75 | PPM1D (0.33) | — | |
| SCHEMBL4578412 | 0.75 | — | — | |
| SCHEMBL31639472 | 0.75 | PPM1D (0.35) | — | |
| Pentanal SCHEMBL8642203 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL12246567 | 0.74 | PPM1D (0.34) | — | |
| SCHEMBL15751311 | 0.74 | PPM1D (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6222044-B1 | REACTING AN AROMATIC ALDEHYDE WITH HYDROXYLAMINE TO FORM AN AROMATIC ALDEHYDE OXIME, HALOGENATING OXIME TO FORM AROMATIC HYDROXAMOYL HALIDE, AND REACTING WITH AROMATIC AMINE COMPOUNDS TO FORM BENZOXAZOLE, BENZOTHIAXOLE, BENZIMIDAZOLES | THE DOW CHEMICAL COMPANY | 2001-04-24 | — | — | US | disclosed |
| US-6211219-B1 | DRUGS, ANALGESICS AND AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0820447-B1 | PROCESS FOR MAKING 2-ARYL BENZ(OX, THI, IMID)AZOLES AND 2-AMINOARYL AMINOBENZ(OX, THI, IMID)AZOLES | DOW CHEMICAL CO (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0820447-A1 | PROCESS FOR MAKING 2-ARYL BENZ(OX, THI, IMID)AZOLES AND 2-AMINOARYL AMINOBENZ(OX, THI, IMID)AZOLES | THE DOW CHEMICAL COMPANY (US) | 1998-01-28 | — | — | EP | disclosed |
| US-5567843-A | Process for making 2-aryl benz (ox, thi, imid)azoles and 2-aminoaryl aminobenz(ox, thi, imid)azoles | THE DOW CHEMICAL COMPANY (US) | 1996-10-22 | — | — | US | disclosed |
| US-5567843-A | Process for making 2-aryl benz (ox, thi, imid)azoles and 2-aminoaryl aminobenz(ox, thi, imid)azoles | THE DOW CHEMICAL COMPANY (US) | 1996-10-22 | — | — | US | disclosed |
| WO-1996029319-A1 | PROCESS FOR MAKING 2-ARYL BENZ(OX, THI, IMID)AZOLES AND 2-AMINOARYL AMINOBENZ(OX, THI, IMID)AZOLES | THE DOW CHEMICAL COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |