⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1710128 | 0.79 | — | — | |
| SCHEMBL7693105 | 0.76 | TDP1 (0.50) | — | |
| SCHEMBL7951001 | 0.75 | TDP1 (0.43) | — | |
| SCHEMBL12835123 | 0.74 | — | — | |
| SCHEMBL20848180 | 0.74 | TDP1 (0.47) | — | |
| SCHEMBL19341987 | 0.74 | — | — | |
| SCHEMBL8268587 | 0.72 | — | — | |
| SCHEMBL14239078 | 0.72 | — | — | |
| SCHEMBL5854040 | 0.72 | — | — | |
| SCHEMBL17962968 | 0.72 | — | — |
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-116209754-A | Engineered biocatalysts and methods for synthesizing chiral amines | 科德克希思公司 | 2023-06-02 | — | — | CN | disclosed |