⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5056943 | 0.83 | CYP1A2 (0.46) | — | |
| SCHEMBL5139119 | 0.79 | — | — | |
| SCHEMBL21001195 | 0.79 | — | — | |
| 2-Acetylpyrrole SCHEMBL150349 | 0.79 | — | — | |
| SCHEMBL6161509 | 0.79 | — | — | |
| SCHEMBL29137674 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL3464105 | 0.75 | — | — | |
| SCHEMBL2491802 | 0.75 | — | — | |
| SCHEMBL5640920 | 0.74 | — | — | |
| SCHEMBL7099176 | 0.74 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4528293-A | Heteroaromatic derivatives of iminomethyl piperidines and use to inhibit gastric acid secretion | MCNEILAB, INC. (US) | 1985-07-09 | — | — | US | claimed |
| US-20090029989-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES | ADAMS JERRY LEROY | 2009-01-29 | — | — | US | disclosed |
| EP-1432714-B1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-08-06 | — | — | EP | disclosed |
| US-20070293489-A1 | Substituted Pyrazolopyrimidines | ADAMS JERRY | 2007-12-20 | — | — | US | disclosed |
| US-7217710-B2 | Substituted pyrazolopyrimidines | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-15 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| EP-1341766-B1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | HOFFMANN LA ROCHE (CH) | 2005-10-26 | — | — | EP | disclosed |
| EP-1432714-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2005-10-19 | — | — | EP | disclosed |
| US-20040198751-A1 | Pyrazolo-pyrimidine compound; anticancer agents | SMITHKLINE BEECHAM CORPORATION | 2004-10-07 | — | — | US | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| WO-2002042279-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| US-6107312-A | BACTERICIDE | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-22 | — | — | US | disclosed |
| EP-0683776-B1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEM FAB (DE) | 1999-04-07 | — | — | EP | disclosed |
| EP-0764160-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-03-26 | — | — | EP | disclosed |
| US-5587389-A | Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-12-24 | — | — | US | disclosed |
| WO-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |
| WO-1995034553-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-12-21 | — | — | WO | disclosed |
| EP-0683776-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994019346-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-09-01 | — | — | WO | disclosed |