⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14191803 | 0.76 | — | — | |
| SCHEMBL17689272 | 0.71 | INMT (0.38) | — | |
| SCHEMBL23266331 | 0.71 | — | — | |
| SCHEMBL1868438 | 0.65 | — | — | |
| SCHEMBL31255760 | 0.57 | — | — | |
| SCHEMBL12693992 | 0.57 | — | — | |
| SCHEMBL12425172 | 0.56 | — | — | |
| SCHEMBL23937863 | 0.56 | — | — | |
| SCHEMBL13968917 | 0.56 | MAOA (0.36) | — | |
| SCHEMBL10160748 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202910-B2 | Compositions and methods for treatment of infectious disease | SEQUELLA, INC. (US) | 2012-06-19 | — | — | 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-20090192173-A1 | ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS | SEQUELLA, INC. | 2009-07-30 | — | — | US | disclosed |
| US-7456222-B2 | Anti tubercular drug: compositions and methods | SEQUELLA, INC. (US) | 2008-11-25 | — | — | US | disclosed |