⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9362822 | 0.82 | CYP2D6 (0.32) | — | |
| SCHEMBL541982 | 0.79 | TP53 (0.38) | — | |
| SCHEMBL6744698 | 0.77 | DGAT1 (0.33) | — | |
| SCHEMBL23094033 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL4209325 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL7696488 | 0.71 | DGAT1 (0.32) | — | |
| SCHEMBL11687587 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL11387554 | 0.69 | DGAT1 (0.33) | — | |
| SCHEMBL1811888 | 0.68 | DGAT1 (0.36) | — | |
| SCHEMBL29033955 | 0.67 | CA1 (0.34) | — |
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-106279128-B | Epoxyethane derivative and preparation method thereof and application in medicine | 四川海思科制药有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-106279128-A | Epoxyethane derivative and preparation method thereof and in application pharmaceutically | 四川海思科制药有限公司 | 2017-01-04 | — | — | CN | disclosed |