⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9008696 | 0.74 | — | — | |
| SCHEMBL8810422 | 0.74 | — | — | |
| SCHEMBL11868209 | 0.68 | — | — | |
| SCHEMBL33269 | 0.67 | — | — | |
| SCHEMBL3579550 | 0.67 | — | — | |
| SCHEMBL8267240 | 0.67 | — | — | |
| SCHEMBL13617273 | 0.67 | — | — | |
| SCHEMBL17266958 | 0.67 | — | — | |
| Ethane SCHEMBL9651821 | 0.65 | — | — | |
| SCHEMBL17266925 | 0.65 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015175695-A1 | SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS | DEBRABANDER JEF (US) | 2015-11-19 | — | — | WO | disclosed |
| EP-0485517-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1992-05-20 | — | — | EP | disclosed |
| WO-1991002739-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1991-03-07 | — | — | WO | disclosed |