⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16928602 | 0.95 | — | — | |
| SCHEMBL14982551 | 0.94 | — | — | |
| SCHEMBL16588334 | 0.90 | — | — | |
| SCHEMBL383731 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL23928776 | 0.86 | — | — | |
| SCHEMBL4818972 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL12733567 | 0.84 | TSHR (0.42) | — | |
| SCHEMBL14136628 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL12708582 | 0.83 | CA2 (0.33) | — | |
| SCHEMBL6357744 | 0.83 | LOX (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3049426-B1 | GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS | CENTRE NAT RECH SCIENT (FR) | 2017-11-01 | — | — | EP | disclosed |
| US-20160287620-A1 | GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS | UNIVERSITE DE MONTPELLIER (FR) | 2016-10-06 | — | — | US | disclosed |
| EP-2851371-A1 | Glycoclusters and their pharmaceutical use as antibacterials | Centre National de la Recherche Scientifique (CNRS) (FR) | 2015-03-25 | — | — | EP | disclosed |