⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4739730 | 0.94 | — | — | |
| SCHEMBL4739686 | 0.90 | — | — | |
| SCHEMBL6904722 | 0.87 | — | — | |
| SCHEMBL6899561 | 0.86 | — | — | |
| SCHEMBL6904667 | 0.86 | — | — | |
| SCHEMBL6901659 | 0.85 | — | — | |
| SCHEMBL4743074 | 0.84 | — | — | |
| SCHEMBL6904980 | 0.84 | — | — | |
| SCHEMBL6899572 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6902139 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008094203-A2 | POLAR ESTER PRODRUGS OF HETEROCYCLIC HYBRID ANTIBACTERIAL COMPOUNDS AND SALTS THEREOF | MICROBIOTIX, INC. (US) | 2008-08-07 | — | — | WO | claimed |
| WO-2008094203-A2 | POLAR ESTER PRODRUGS OF HETEROCYCLIC HYBRID ANTIBACTERIAL COMPOUNDS AND SALTS THEREOF | MICROBIOTIX, INC. (US) | 2008-08-07 | — | — | WO | disclosed |