⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4181750 | 1.00 | — | — | |
| SCHEMBL31415703 | 1.00 | — | — | |
| SCHEMBL31415702 | 1.00 | — | — | |
| SCHEMBL7109538 | 0.78 | — | — | |
| SCHEMBL19134102 | 0.76 | — | — | |
| SCHEMBL12920078 | 0.76 | CYP3A4 (0.48) | — | |
| SCHEMBL668556 | 0.73 | — | — | |
| SCHEMBL4560634 | 0.73 | — | — | |
| SCHEMBL15659879 | 0.71 | — | — | |
| SCHEMBL9066164 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119530309-A | Enzymatic resolution synthesis method of chiral secondary alcohol | 江苏倍合德医药科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-119530309-A | Enzymatic resolution synthesis method of chiral secondary alcohol | 江苏倍合德医药科技有限公司 | 2025-02-28 | — | — | CN | disclosed |