⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14169239 | 0.81 | POLB (0.50) | — | |
| SCHEMBL12318733 | 0.79 | NLRP3 (0.45) | — | |
| SCHEMBL19518740 | 0.79 | NLRP3 (0.45) | — | |
| SCHEMBL4810952 | 0.76 | — | — | |
| SCHEMBL131906 | 0.75 | — | — | |
| SCHEMBL787006 | 0.75 | — | — | |
| SCHEMBL12783044 | 0.74 | — | — | |
| SCHEMBL19254779 | 0.74 | — | — | |
| SCHEMBL13528788 | 0.74 | — | — | |
| SCHEMBL19538675 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0580692-B1 | AUTOINDUCER | UNIV NOTTINGHAM (GB) | 2003-08-13 | — | — | EP | disclosed |
| US-5593827-A | N-(BETA-KETOCAPROYL) HOMOSERINE LACTONE OR ANALOGUE | THE UNIVERSITY OF NOTTINGHAM (GB) | 1997-01-14 | — | — | US | disclosed |
| EP-0580692-A1 | AUTOINDUCER | THE UNIVERSITY OF NOTTINGHAM (GB) | 1994-02-02 | — | — | EP | disclosed |
| WO-1992018614-A1 | AUTOINDUCER | THE UNIVERSITY OF NOTTINGHAM (GB) | 1992-10-29 | — | — | WO | disclosed |