⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28469114 | 0.80 | — | — | |
| SCHEMBL27800220 | 0.78 | — | — | |
| SCHEMBL28476019 | 0.74 | — | — | |
| SCHEMBL28467193 | 0.74 | — | — | |
| SCHEMBL1051188 | 0.69 | — | — | |
| SCHEMBL28476021 | 0.67 | — | — | |
| SCHEMBL28785905 | 0.65 | — | — | |
| SCHEMBL4959103 | 0.65 | — | — | |
| SCHEMBL1048520 | 0.65 | — | — | |
| SCHEMBL1051315 | 0.63 | — | — |
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-107089912-B | Method for selectively catalyzing and synthesizing mandelate compound by metallocene complex | 湖南大学 | 2020-10-30 | — | — | CN | disclosed |