⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26382098 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL9274340 | 0.72 | — | — | |
| SCHEMBL21923500 | 0.67 | GAA (0.42) | — | |
| SCHEMBL22163541 | 0.65 | GPR84 (0.32) | — | |
| SCHEMBL24115557 | 0.64 | — | — | |
| SCHEMBL3722646 | 0.63 | — | — | |
| SCHEMBL26318965 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL20977931 | 0.61 | SELE (0.34) | — | |
| SCHEMBL18927852 | 0.60 | — | — | |
| SCHEMBL2938448 | 0.60 | CYP3A4 (0.36) | — |
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-1074445-A | 13-(sulfo-of replacement) acetoxyl group milbemycin derivatives, their preparation and the application on the agrochemistry thereof | SANKYO CO (JP) | 1993-07-21 | — | — | CN | disclosed |