⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2042877 | 1.00 | — | — | |
| SCHEMBL2042873 | 1.00 | — | — | |
| SCHEMBL16843510 | 1.00 | — | — | |
| SCHEMBL15040799 | 1.00 | — | — | |
| SCHEMBL14120217 | 1.00 | — | — | |
| SCHEMBL1661009 | 0.89 | TYR (0.53) | — | |
| SCHEMBL21159023 | 0.89 | TYR (0.53) | — | |
| SCHEMBL1661005 | 0.89 | TYR (0.53) | — | |
| SCHEMBL14119749 | 0.89 | TYR (0.53) | — | |
| SCHEMBL14120664 | 0.89 | TYR (0.60) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120270824-A1 | MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION | UNIVERSITY OF BASEL (CH) | 2012-10-25 | — | — | US | disclosed |