⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4810837 | 0.82 | — | — | |
| SCHEMBL12500608 | 0.82 | — | — | |
| SCHEMBL16393518 | 0.70 | — | — | |
| SCHEMBL5983089 | 0.69 | — | — | |
| SCHEMBL18334654 | 0.69 | — | — | |
| SCHEMBL16992923 | 0.69 | — | — | |
| SCHEMBL4643844 | 0.68 | — | — | |
| SCHEMBL6176494 | 0.68 | — | — | |
| SCHEMBL8643769 | 0.68 | — | — | |
| SCHEMBL6369664 | 0.67 | — | — |
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-109942560-B | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-06-17 | — | — | CN | disclosed |