⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15912334 | 0.69 | P4HB (0.35) | — | |
| SCHEMBL20275971 | 0.68 | NPC1 (0.42) | — | |
| SCHEMBL27051734 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL9811144 | 0.66 | — | — | |
| SCHEMBL1292825 | 0.66 | GABRA1 (0.41) | — | |
| SCHEMBL557660 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL16746142 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL30933285 | 0.64 | — | — | |
| SCHEMBL28339425 | 0.64 | MAPT (0.35) | — | |
| SCHEMBL5006025 | 0.63 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |