⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13176954 | 0.79 | — | — | |
| SCHEMBL676667 | 0.79 | — | — | |
| SCHEMBL18666684 | 0.74 | — | — | |
| SCHEMBL18165241 | 0.74 | — | — | |
| SCHEMBL4819351 | 0.74 | — | — | |
| SCHEMBL1515206 | 0.71 | — | — | |
| SCHEMBL28070074 | 0.71 | — | — | |
| SCHEMBL27325323 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL12460925 | 0.70 | — | — | |
| SCHEMBL4875931 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268894-B2 | Compositions and methods for the treatment of infectious diseases | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-09-18 | — | — | US | disclosed |
| US-8202910-B2 | Compositions and methods for treatment of infectious disease | SEQUELLA, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20110306597-A1 | Nicotinamide Derivatives | CRAWFORTH JAMES MICHAEL (GB) | 2011-12-15 | — | — | US | disclosed |
| US-20110118307-A1 | Compositions and methods for the treatment of infectious diseases | GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2011-05-19 | — | — | US | disclosed |
| US-7842729-B2 | Anti tubercular drug: compositions and methods | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-11-30 | — | — | US | disclosed |
| US-7456222-B2 | Anti tubercular drug: compositions and methods | SEQUELLA, INC. (US) | 2008-11-25 | — | — | US | disclosed |
| WO-2008032164-A2 | BENZIMIDAZOLONE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2008-03-20 | — | — | WO | disclosed |