⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL814784 | 0.67 | — | — | |
| SCHEMBL1617042 | 0.67 | — | — | |
| SCHEMBL8536854 | 0.67 | — | — | |
| SCHEMBL15564067 | 0.67 | — | — | |
| SCHEMBL4621674 | 0.67 | — | — | |
| SCHEMBL15799651 | 0.65 | GLA (0.33) | — | |
| SCHEMBL25128519 | 0.62 | GLA (0.45) | — | |
| SCHEMBL19403690 | 0.62 | HPGD (0.36) | — | |
| SCHEMBL23663105 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL22744037 | 0.62 | KDM4E (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9573908-B2 | Broad spectrum pro-quorum-sensing molecules as inhibitors of virulence in vibrios | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-02-21 | — | — | US | disclosed |
| US-20150126474-A1 | BROAD SPECTRUM PRO-QUORUM-SENSING MOLECULES AS INHIBITORS OF VIRULENCE IN VIBRIOS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-05-07 | — | — | US | disclosed |
| WO-2014092751-A1 | BROAD SPECTRUM PRO-QUORUM-SENSING MOLECULES AS INHIBITORS OF VIRULENCE IN VIBRIOS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-06-19 | — | — | WO | disclosed |
| US-20100305326-A1 | Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage | MARQUETTE UNIVERSITY (US) | 2010-12-02 | — | — | US | disclosed |
| US-20100305326-A1 | Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage | MARQUETTE UNIVERSITY (US) | 2010-12-02 | — | — | US | disclosed |
| EP-1853276-A2 | COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 | The Brighamn and Women's Hospital, Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| US-20060194821-A1 | Compounds inhibiting the aggregation of superoxide dismutase-1 | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2006-08-31 | — | — | US | disclosed |
| WO-2006089221-A2 | COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2006-08-24 | — | — | WO | disclosed |