⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28435826 | 1.00 | TSHR (0.43) | — | |
| SCHEMBL1203160 | 1.00 | — | — | |
| SCHEMBL11857148 | 1.00 | TSHR (0.43) | — | |
| SCHEMBL28430035 | 1.00 | TSHR (0.43) | — | |
| SCHEMBL624024 | 0.97 | — | — | |
| SCHEMBL2521786 | 0.87 | — | — | |
| SCHEMBL1004069 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL5203287 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL818520 | 0.83 | — | — | |
| SCHEMBL645518 | 0.83 | ALDH1A1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7790735-B2 | Methanocarba cycloalkyl nucleoside analogues | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-09-07 | — | — | US | disclosed |
| US-20060270629-A1 | Methanocarba cycloalkyl nucleoside analogues | Govt of the U.S.A., represented by the Secretary, Dept of Health & Human Services (US) | 2006-11-30 | — | — | US | disclosed |
| EP-1252160-B1 | METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES | US GOV HEALTH & HUMAN SERV (US) | 2006-08-16 | — | — | EP | disclosed |
| US-7087589-B2 | Methanocarba cycloakyl nucleoside analogues | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2006-08-08 | — | — | US | disclosed |
| US-20030216412-A1 | Methanocarba cycloakyl nucleoside analogues | HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, THE, REPRESENTED BY THE SECRETARY, DEPARTMENT OF | 2003-11-20 | — | — | US | disclosed |
| EP-1252160-A1 | METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES | THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001051490-A1 | METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-07-19 | — | — | WO | disclosed |
| EP-0313081-B1 | 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same | OTSUKA PHARMA CO LTD (JP) | 1994-02-02 | — | — | EP | disclosed |
| EP-0313081-A2 | 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-04-26 | — | — | EP | disclosed |