⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12318676 | 1.00 | — | — | |
| SCHEMBL12318682 | 0.99 | — | — | |
| SCHEMBL15976396 | 0.99 | — | — | |
| SCHEMBL15976438 | 0.99 | — | — | |
| SCHEMBL15976441 | 0.91 | CA1 (0.46) | — | |
| SCHEMBL12318665 | 0.91 | CA1 (0.46) | — | |
| SCHEMBL16101977 | 0.91 | — | — | |
| SCHEMBL19538611 | 0.82 | CYP1A2 (0.55) | — | |
| SCHEMBL19538614 | 0.82 | CYP1A2 (0.55) | — | |
| SCHEMBL25012458 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220411390-A1 | MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS | WISCONSIN ALUMNI RES FOUND (US) | 2022-12-29 | — | — | US | disclosed |
| US-20200115356-A1 | Modulation of Bacterial Quorum Sensing With Synthetic Ligands | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2020-04-16 | — | — | US | disclosed |