⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995900 | 0.76 | — | — | |
| SCHEMBL998200 | 0.73 | — | — | |
| SCHEMBL25219157 | 0.71 | — | — | |
| SCHEMBL1146945 | 0.71 | — | — | |
| SCHEMBL23758318 | 0.71 | OPRK1 (0.35) | — | |
| SCHEMBL4288735 | 0.70 | FPR2 (0.40) | — | |
| SCHEMBL996895 | 0.70 | ALDH1A1 (0.63) | — | |
| SCHEMBL2546731 | 0.69 | HTR2C (0.40) | — | |
| SCHEMBL6348986 | 0.69 | HSD17B10 (0.51) | — | |
| SCHEMBL9838297 | 0.67 | MEN1 (0.51) | — |
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-113248442-B | Preparation method of ergothioneine key intermediate | 泰州天鸿生化科技有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-113248442-A | Preparation method of ergothioneine key intermediate | 泰州天鸿生化科技有限公司 | 2021-08-13 | — | — | CN | disclosed |