⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3887504 | 0.89 | — | — | |
| SCHEMBL21587313 | 0.79 | NPSR1 (0.30) | — | |
| SCHEMBL3856071 | 0.76 | NPSR1 (0.30) | — | |
| SCHEMBL5706312 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL4555927 | 0.72 | — | — | |
| SCHEMBL11690149 | 0.70 | NPSR1 (0.31) | — | |
| SCHEMBL11788495 | 0.70 | FFAR1 (0.31) | — | |
| SCHEMBL21587365 | 0.70 | CD44 (0.35) | — | |
| SCHEMBL2117543 | 0.69 | — | — | |
| SCHEMBL645408 | 0.69 | ALDH1A1 (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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070225287-A1 | Substituted Arylpyrazines | YOON TAEYOUNG | 2007-09-27 | — | — | US | disclosed |
| US-7202250-B2 | Substituted arylpyrazines | NEUROGEN CORPORATION (US) | 2007-04-10 | — | — | US | disclosed |
| US-20070043056-A1 | 5-Substituted-2-arylpyrazines | NEUROGEN CORPORATION (US) | 2007-02-22 | — | — | US | disclosed |
| US-7179807-B2 | 5-substituted-2-arylpyrazines | NEUROGEN CORPORATION (US) | 2007-02-20 | — | — | US | disclosed |
| WO-2007011810-A1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| EP-1687281-A1 | SYNTHESIS OF 2-CHLORO-3,6-DIALKYL PYRAZINES | Pharmacia & Upjohn Company LLC (US) | 2006-08-09 | — | — | EP | disclosed |
| US-6995161-B2 | Substituted arylpyrazines | NEUROGEN CORPORATION (US) | 2006-02-07 | — | — | US | disclosed |
| US-6964965-B2 | Substituted pyrazine derivatives | PHARMACIA & UPJOHN (US) | 2005-11-15 | — | — | US | disclosed |
| EP-1255740-B1 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORP (US) | 2005-10-19 | — | — | EP | disclosed |
| US-20050215559-A1 | Substituted arylpyrazines | NEUROGEN CORPORATION | 2005-09-29 | — | — | US | disclosed |
| US-20050107610-A1 | Synthesis of 2-chloro-3,6-dialkyl pyrazines | PFIZER INC | 2005-05-19 | — | — | US | disclosed |
| EP-1499599-A1 | SUBSTITUTED PYRAZINE DERIVATIVES | Pharmacia & Upjohn Company LLC (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1500653-A1 | Substituted arylpyrazines | Neurogen Corporation (US) | 2005-01-26 | — | — | EP | disclosed |
| US-20040106620-A1 | 5-Substituted-2-arylpyrazines | NEUROGEN CORPORATION | 2004-06-03 | — | — | US | disclosed |
| US-20040053941-A1 | Substituted pyrazine derivatives | PHARMACIA & UPJOHN COMPANY | 2004-03-18 | — | — | US | disclosed |
| WO-2004018437-A1 | 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS | NEUROGEN CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |
| WO-2003091225-A1 | SUBSTITUTED PYRAZINE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-06 | — | — | WO | disclosed |
| US-20030018035-A1 | Substituted arylpyrazines | NEUROGEN CORPORATION | 2003-01-23 | — | — | US | disclosed |
| EP-1255740-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060806-A2 | SUBSTITUTED ARYLPYRAZINES | NEUROGEN CORPORATION (US) | 2001-08-23 | — | — | WO | disclosed |