⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9799007 | 0.84 | — | — | |
| SCHEMBL27672227 | 0.83 | LTA4H (0.40) | — | |
| Hydrochloric Acid SCHEMBL28130491 | 0.81 | LTA4H (0.39) | — | |
| SCHEMBL28011980 | 0.80 | — | — | |
| SCHEMBL27569434 | 0.77 | — | — | |
| SCHEMBL27724414 | 0.75 | — | — | |
| SCHEMBL5021487 | 0.75 | — | — | |
| SCHEMBL27521887 | 0.75 | — | — | |
| SCHEMBL23418534 | 0.73 | LTA4H (0.41) | — | |
| SCHEMBL21267964 | 0.73 | LTA4H (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110520413-A | Big ring broad-spectrum antibiotic | RQX PHARMACEUTICALS INC | 2019-11-29 | — | — | CN | disclosed |
| CN-106795203-A | Stability for antibody drug conjugate adjusts joint | 辉瑞公司 | 2017-05-31 | — | — | CN | disclosed |