⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273978 | 0.77 | — | — | |
| SCHEMBL14714829 | 0.70 | — | — | |
| SCHEMBL22443592 | 0.66 | APLNR (0.32) | — | |
| SCHEMBL23043416 | 0.62 | — | — | |
| SCHEMBL14157266 | 0.60 | FFAR3 (0.33) | — | |
| SCHEMBL19897217 | 0.60 | FFAR3 (0.33) | — | |
| SCHEMBL1503804 | 0.59 | CYP1A2 (0.31) | — | |
| SCHEMBL1850863 | 0.59 | KMT2A (0.46) | — | |
| SCHEMBL14714865 | 0.58 | — | — | |
| SCHEMBL22443506 | 0.58 | TSHR (0.33) | — |
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-109963835-B | Preparation method of neotoxin and intermediate thereof | 江苏恒瑞医药股份有限公司 | 2022-10-21 | — | — | CN | disclosed |