⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26712961 | 1.00 | — | — | |
| SCHEMBL3540277 | 1.00 | — | — | |
| SCHEMBL3540273 | 1.00 | — | — | |
| SCHEMBL21077277 | 1.00 | — | — | |
| SCHEMBL15723399 | 0.93 | — | — | |
| SCHEMBL812613 | 0.93 | — | — | |
| SCHEMBL25973857 | 0.93 | — | — | |
| SCHEMBL812612 | 0.93 | — | — | |
| SCHEMBL21522 | 0.93 | — | — | |
| SCHEMBL812923 | 0.90 | CA1 (0.41) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7829586-B2 | Aryl-substituted nitrogen-containing heterocyclic compounds | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20090275617-A1 | Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds | MSD K.K. (JP) | 2009-11-05 | — | — | US | disclosed |
| EP-1935881-A1 | ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-06-25 | — | — | EP | disclosed |
| EP-0652868-B1 | INHIBITORS OF c-AMP PHOSPHODIESTERASE | AVENTIS PHARMA LTD (GB) | 2004-11-10 | — | — | EP | disclosed |
| US-6096768-A | ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS | RHONE-POULENC RORER LIMITED (GB) | 2000-08-01 | — | — | US | disclosed |
| US-5935978-A | Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group | RHONE-POULENC RORER LIMITED (GB) | 1999-08-10 | — | — | US | disclosed |
| US-5840724-A | COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES | RHONE-POULENC RORER LIMITED (GB) | 1998-11-24 | — | — | US | disclosed |
| EP-0741707-B1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE POULENC RORER LTD (GB) | 1998-04-01 | — | — | EP | disclosed |
| US-5698711-A | INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS | RHONE-POULENC RORER LIMITED (GB) | 1997-12-16 | — | — | US | disclosed |
| US-5679696-A | FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1997-10-21 | — | — | US | disclosed |
| EP-0741707-A1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020578-A1 | SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1995-08-03 | — | — | WO | disclosed |
| EP-0652868-A1 | INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF | RHONE-POULENC RORER LIMITED (GB) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994002465-A1 | INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF | RHONE-POULENC RORER LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |