⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10035728 | 1.00 | — | — | |
| SCHEMBL10110534 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL13589504 | 0.83 | — | — | |
| SCHEMBL1106083 | 0.83 | — | — | |
| SCHEMBL12833579 | 0.78 | HIF1A (0.34) | — | |
| SCHEMBL14503356 | 0.78 | — | — | |
| SCHEMBL13120130 | 0.78 | HIF1A (0.35) | — | |
| SCHEMBL677557 | 0.78 | — | — | |
| SCHEMBL13105442 | 0.78 | HIF1A (0.35) | — | |
| SCHEMBL20308636 | 0.73 | THRB (0.32) | — |
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-20160221977-A1 | ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE | BROWN UNIVERSITY (US) | 2016-08-04 | — | — | US | disclosed |
| US-20160221977-A1 | ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE | BROWN UNIVERSITY (US) | 2016-08-04 | — | — | US | disclosed |