⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7690769 | 0.81 | — | — | |
| SCHEMBL8766235 | 0.77 | — | — | |
| SCHEMBL467540 | 0.77 | — | — | |
| SCHEMBL2923103 | 0.77 | — | — | |
| SCHEMBL6768548 | 0.77 | — | — | |
| SCHEMBL27850208 | 0.75 | — | — | |
| SCHEMBL28213591 | 0.74 | CXCR4 (0.32) | — | |
| SCHEMBL27269 | 0.73 | — | — | |
| SCHEMBL454916 | 0.72 | KCNH2 (0.47) | — | |
| SCHEMBL29965575 | 0.72 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070155752-A1 | 2-Amino-o4-substituted pteridines and their use as inactivators of o6-alkylguanine-dna alkyltransferase | Government of the United States of America, | 2007-07-05 | — | — | US | disclosed |
| EP-1701957-A1 | 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005068465-A1 | 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-07-28 | — | — | WO | disclosed |
| EP-1518854-A1 | Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 2005-03-30 | — | — | EP | disclosed |
| EP-1142893-B1 | Substituted 6(4)-benzyloxypyrimidines | US HEALTH (US) | 2004-12-29 | — | — | EP | disclosed |
| US-6436945-B2 | FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES | 2002-08-20 | — | — | US | disclosed |
| US-20020013299-A1 | Substituted O6-benzyl-8-aza-guanines | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-01-31 | — | — | US | disclosed |
| US-6333331-B1 | USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-12-25 | — | — | US | disclosed |
| EP-0775142-B1 | SUBSTITUTED O6 -BENZYLGUANINES | US HEALTH (US) | 2001-10-24 | — | — | EP | disclosed |
| US-6303604-B1 | USED AS ANTINEOPLASTIC ALKYLATING AGENT WHICH CAUSES CYTOTOXIC LESIONS AT THE O.SUP.6-POSITION OF QUANINE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-10-16 | — | — | US | disclosed |
| EP-1142893-A1 | Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6172070-B1 | IN POLYOXYETHYLENE GLYCOL CARRIER | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-01-09 | — | — | US | disclosed |
| US-5958932-A | ANTITUMOR AGENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-09-28 | — | — | US | disclosed |
| US-5916894-A | Substituted 06-benzylguanines and 6(4)-benzyloxypyrimidines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-06-29 | — | — | US | disclosed |
| US-5753668-A | Substituted benzyloxypyrimidines and their inactivation of O6 -alkylguanine-DNA alkyltransferase | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0775142-A1 | SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5525606-A | CHEMOTHERAPEUTIC ANTITUMOR AGENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-06-11 | — | — | US | disclosed |
| WO-1996004281-A1 | SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-02-15 | — | — | WO | disclosed |