⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18209770 | 0.86 | TGM2 (0.40) | — | |
| SCHEMBL20028851 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL20022786 | 0.81 | GRIN2B (0.33) | — | |
| SCHEMBL18209875 | 0.78 | LTA4H (0.32) | — | |
| SCHEMBL18210247 | 0.74 | — | — | |
| SCHEMBL1249643 | 0.74 | GAA (0.30) | — | |
| SCHEMBL5257162 | 0.68 | — | — | |
| SCHEMBL1248184 | 0.67 | — | — | |
| SCHEMBL18215014 | 0.66 | FAAH (0.38) | — | |
| SCHEMBL5254049 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107580595-B | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2020-09-18 | — | — | CN | disclosed |