⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10784568 | 0.63 | — | — | |
| SCHEMBL5252500 | 0.55 | — | — | |
| SCHEMBL1787667 | 0.54 | — | — | |
| SCHEMBL13285762 | 0.52 | — | — | |
| SCHEMBL4786313 | 0.50 | — | — | |
| SCHEMBL291625 | 0.49 | — | — | |
| SCHEMBL7656436 | 0.47 | — | — | |
| Benzene SCHEMBL6889012 | 0.30 | TSHR (0.75) | — | |
| Benzene SCHEMBL190779 | 0.30 | — | — | |
| Hydrogen Peroxide SCHEMBL21334009 | 0.28 | — | — |
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-8258321-B2 | Beta-lactone compounds | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2212305-A1 | BETA-LACTONE COMPOUNDS | Burnham Institute for Medical Research (US) | 2010-08-04 | — | — | EP | disclosed |
| US-20090124681-A1 | BETA-LACTONE COMPOUNDS | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2009-05-14 | — | — | US | disclosed |
| WO-2009059046-A1 | BETA-LACTONE COMPOUNDS | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2009-05-07 | — | — | WO | disclosed |