⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28433643 | 0.75 | LTA4H (0.50) | — | |
| Hydrochloric Acid SCHEMBL1074228 | 0.73 | LTA4H (0.47) | — | |
| SCHEMBL29113981 | 0.71 | LTA4H (0.44) | — | |
| SCHEMBL11249932 | 0.69 | LTA4H (0.43) | — | |
| SCHEMBL28649614 | 0.65 | — | — | |
| SCHEMBL1057667 | 0.65 | — | — | |
| Diphenylether SCHEMBL8157951 | 0.65 | LTA4H (0.86) | — | |
| SCHEMBL1440598 | 0.65 | — | — | |
| SCHEMBL14905 | 0.63 | LTA4H (0.60) | — | |
| Diphenylether SCHEMBL9061108 | 0.63 | LTA4H (1.00) | — |
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-108137649-B | AXMI554 delta-endotoxin gene and methods of use thereof | 巴斯夫农业解决方案种子美国有限责任公司 | 2022-05-17 | — | — | CN | disclosed |