⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3923304 | 0.94 | — | — | |
| Acetonitrile SCHEMBL16515587 | 0.85 | NPC1 (0.34) | — | |
| SCHEMBL2680147 | 0.69 | — | — | |
| SCHEMBL113923 | 0.67 | — | — | |
| SCHEMBL722595 | 0.67 | CYP2A6 (0.56) | — | |
| SCHEMBL18099186 | 0.67 | CES1 (0.39) | — | |
| SCHEMBL911603 | 0.65 | L3MBTL1 (0.38) | — | |
| SCHEMBL3084000 | 0.65 | — | — | |
| SCHEMBL2963807 | 0.65 | — | — | |
| SCHEMBL14506752 | 0.65 | LMNA (0.37) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | claimed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | claimed |
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | disclosed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | disclosed |
| US-8067442-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-29 | — | — | US | disclosed |
| EP-2334662-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| US-20100081658-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC | 2010-04-01 | — | — | US | disclosed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | disclosed |
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-101391972-A | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-03-25 | — | — | CN | disclosed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | disclosed |
| US-6146554-A | FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES | OPTISCHE WERKE G. RODENSTOCK (DE) | 2000-11-14 | — | — | US | disclosed |
| EP-0095340-B1 | PROCESSES FOR MAKING 3-METHYLTHIOPHENE-2-CARBOXALDEHYDE AND INTERMEDIATES THEREFOR | PFIZER INC. (US) | 1986-08-13 | — | — | EP | disclosed |
| US-4476312-A | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1984-10-09 | — | — | US | disclosed |
| US-4471139-A | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1984-09-11 | — | — | US | disclosed |
| EP-0095340-A1 | Processes for making 3-methylthiophene-2-carboxaldehyde and intermediates therefor | PFIZER INC. (US) | 1983-11-30 | — | — | EP | disclosed |