⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762088 | 1.00 | — | — | |
| SCHEMBL15417398 | 1.00 | — | — | |
| SCHEMBL17925399 | 0.74 | — | — | |
| SCHEMBL10870701 | 0.69 | — | — | |
| SCHEMBL17325376 | 0.67 | — | — | |
| SCHEMBL12569183 | 0.67 | — | — | |
| SCHEMBL15178024 | 0.67 | — | — | |
| SCHEMBL14494703 | 0.67 | — | — | |
| SCHEMBL4347163 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL19188795 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334835-A1 | Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-11-23 | — | — | US | disclosed |
| WO-2017190116-A1 | SYNTHETIC LIGANDS THAT MODULATE THE ACTIVITY OF THE RHLR QUORUM SENSING RECEPTOR | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-11-02 | — | — | WO | disclosed |
| US-9758472-B2 | Non-lactone carbocyclic and heterocyclic antagonists and agonists of bacterial quorum sensing | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-09-12 | — | — | US | disclosed |
| US-20170231962-A1 | Compound Combinations for Attenuation of Bacterial Virulence | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-08-17 | — | — | US | disclosed |
| US-20140142156-A1 | Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-05-22 | — | — | US | disclosed |
| US-8624063-B2 | Non-lactone carbocyclic and heterocyclic antagonists and agonists of bacterial quorum sensing | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-01-07 | — | — | US | disclosed |